IngredientID 7771

6-methyl-5-hepten-2-ol

C8H16O

Relationship Network

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Herb: 4Ingredient: 1Target: 1Links: 5

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 7771
Core Entity Id: 11815
Source Entity Count: 1
Preferred Name: 6-methyl-5-hepten-2-ol
Name En
Pubchem Id: 20745
Smiles Canonical: CC(CCC=C(C)C)O
Molecular Formula: C8H16O
Molecular Weight: 128.2150
Inchikey: OHEFFKYYKJVVOX-UHFFFAOYSA-N
Inchi: InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
Isomeric Smiles: CC(CCC=C(C)C)O
Cas Id: 997266
Ob Score
Mol Logp: 2.1136
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 3
Drug Likeness: 0.5770
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

6-Methyl-5-Hepten-2-Ol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

6-methyl-5-hepten-2-ol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

6-methyl-5-hepten-2-ol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

6-methyl-5-hepten-2-ol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(+/-)-6-Methyl-5-Hepten-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

(+/-)-6-Methyl-5-Hepten-2-ol

Role

alias

Source

TCMBank

Preferred

Name

(+/-)-6-Methyl-5-Hepten-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(R)-(-)-6-METHYL-5-HEPTEN-2-OL

Role

alias

Source

TCMBank

Preferred

Name

(R)-Sulcatol

Role

alias

Source

itcmdb_public

Preferred

Name

(R)-Sulcatol

Role

alias

Source

HERB_v2

Preferred

Name

(R)-Sulcatol

Role

alias

Source

TCMBank

Preferred

Name

(^+)-6-Methyl-5-hepten-2-ol, 98%

Role

alias

Source

TCMBank

Preferred

Name

1569-60-4

Role

alias

Source

TCMBank

Preferred

Name

1569-60-4

Role

alias

Source

itcmdb_public

Preferred

Name

1569-60-4

Role

alias

Source

HERB_v2

Preferred

Name

2-Methyl-2-hepten-6-ol

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-hepten-6-ol

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methyl-2-hepten-6-ol

Role

alias

Source

HERB_v2

Preferred

Name

4630-06-2

Role

alias

Source

HERB_v2

Preferred

Name

4630-06-2

Role

alias

Source

itcmdb_public

Preferred

Name

4630/6/2

Role

alias

Source

TCMBank

Preferred

Name

5-Hepten-2-ol, 6-methyl-

Role

alias

Source

TCMBank

Preferred

Name

5-Hepten-2-ol, 6-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

5-Hepten-2-ol, 6-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

6-Hydroxy-2-methyl-2-heptene

Role

alias

Source

TCMBank

Preferred

Name

6-Hydroxy-2-methyl-2-heptene

Role

alias

Source

itcmdb_public

Preferred

Name

6-Hydroxy-2-methyl-2-heptene

Role

alias

Source

HERB_v2

Preferred

Name

6-Methyl-5-hepten-2-ol, 99%

Role

alias

Source

TCMBank

Preferred

Name

6-Methyl-5-hepten-2-ol, >=99%, FG

Role

alias

Source

TCMBank

Preferred

Name

6-Methylhept-5-en-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

6-Methylhept-5-en-2-ol

Role

alias

Source

TCMBank

Preferred

Name

6-Methylhept-5-en-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

AC1L2GWR

Role

alias

Source

TCMBank

Preferred

Name

ACMC-20apg8

Role

alias

Source

TCMBank

Preferred

Name

ACMC-20apkw

Role

alias

Source

TCMBank

Preferred

Name

AI3-25074

Role

alias

Source

TCMBank

Preferred

Name

AKOS008996527

Role

alias

Source

TCMBank

Preferred

Name

AN-19739

Role

alias

Source

TCMBank

Preferred

Name

C07288

Role

alias

Source

TCMBank

Preferred

Name

CAS-1569-60-4

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:15833

Role

alias

Source

TCMBank

Preferred

Name

CTK3J6668

Role

alias

Source

TCMBank

Preferred

Name

DB-064153

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_30309

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_51754

Role

alias

Source

TCMBank

Preferred

Name

DTXSID8051754

Role

alias

Source

TCMBank

Preferred

Name

EINECS 216-377-1

Role

alias

Source

TCMBank

Preferred

Name

FR-0834

Role

alias

Source

TCMBank

Preferred

Name

FT-0621225

Role

alias

Source

TCMBank

Preferred

Name

I14-40823

Role

alias

Source

TCMBank

Preferred

Name

I14-51311

Role

alias

Source

TCMBank

Preferred

Name

I14-63553

Role

alias

Source

TCMBank

Preferred

Name

J-009359

Role

alias

Source

TCMBank

Preferred

Name

KB-199570

Role

alias

Source

TCMBank

Preferred

Name

LMFA05000566

Role

alias

Source

TCMBank

Preferred

Name

METHYL HEPTENOL

Role

alias

Source

TCMBank

Preferred

Name

MFCD00004561

Role

alias

Source

TCMBank

Preferred

Name

NCGC00357173-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 66273

Role

alias

Source

TCMBank

Preferred

Name

OHEFFKYYKJVVOX-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

RTR-006586

Role

alias

Source

TCMBank

Preferred

Name

SBB008067

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL195482

Role

alias

Source

TCMBank

Preferred

Name

Sulcatol

Role

alias

Source

HERB_v2

Preferred

Name

Sulcatol

Role

alias

Source

TCMBank

Preferred

Name

Sulcatol

Role

alias

Source

itcmdb_public

Preferred

Name

TR-006586

Role

alias

Source

TCMBank

Preferred

Name

Tox21_303934

Role

alias

Source

TCMBank

Preferred

Name

dl-6-Methyl-5-hepten-2-ol

Role

alias

Source

TCMBank

Preferred

Name

Zinc00896812

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

ZINC00896812

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+)-Sulcatol

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-6-Methyl-5-hepten-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-6-methylhept-5-en-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-(+)-6-METHYL-5-HEPTEN-2-OL

Role

alias

Source

HERB_v2

Preferred

Name

(S)-6-Methylhept-5-en-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

5-Hepten-2-ol, 6-methyl-, (2S)-

Role

alias

Source

itcmdb_public

Preferred

Name

58917-26-3

Role

alias

Source

itcmdb_public

Preferred

Name

S-sulcatol

Role

alias

Source

itcmdb_public

Preferred

Name

Sulcatol, (S)-

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

(+/-)-6-Methyl-5-Hepten-2-ol(R)-(-)-6-METHYL-5-HEPTEN-2-OL(R)-Sulcatol(^+)-6-Methyl-5-hepten-2-ol, 98%1569-60-42-Methyl-2-hepten-6-ol4630-06-24630/6/25-Hepten-2-ol, 6-methyl-6-Hydroxy-2-methyl-2-heptene6-Methyl-5-hepten-2-ol, 99%6-Methyl-5-hepten-2-ol, >=99%, FG6-Methylhept-5-en-2-olAC1L2GWRACMC-20apg8ACMC-20apkwAI3-25074AKOS008996527AN-19739C07288CAS-1569-60-4CHEBI:15833CTK3J6668DB-064153DSSTox_CID_30309DSSTox_GSID_51754DTXSID8051754EINECS 216-377-1FR-0834FT-0621225I14-40823I14-51311I14-63553J-009359KB-199570LMFA05000566METHYL HEPTENOLMFCD00004561NCGC00357173-01NSC 66273OHEFFKYYKJVVOX-UHFFFAOYSA-NRTR-006586SBB008067SCHEMBL195482SulcatolTR-006586Tox21_303934dl-6-Methyl-5-hepten-2-olZinc00896812(+)-Sulcatol(2S)-6-Methyl-5-hepten-2-ol(2S)-6-methylhept-5-en-2-ol(S)-(+)-6-METHYL-5-HEPTEN-2-OL(S)-6-Methylhept-5-en-2-ol5-Hepten-2-ol, 6-methyl-, (2S)-58917-26-3S-sulcatolSulcatol, (S)-

Cross References

Trusted external identifiers retained for this final record.

Cas

1569-60-4

Herb

HBIN011557HBIN012550HBIN012566HBIN048927

Npass

NPC301540NPC142340

Tcmid

2412437772

Tcmsp

MOL003516

Sym Map

SMIT02017SMIT05575

Tcm Id

75347683

Pub Chem

207456971127

Tcmbank

TCMBANKIN059356TCMBANKIN025775

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3

Mol Wt

128.215

Cas Id

997266

Smiles

CC(CCC=C(C)C)O

Mol Log P

2.1136

Version

v1,v2

In Ch Ikey

OHEFFKYYKJVVOX-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.577

Num Hacceptors

Isomeric Smiles

CC(CCC=C(C)C)O

Molecule Weight

128.213

Canonical Smiles

CC(CCC=C(C)C)O

Herb Alias Names

6-Methylhept-5-en-2-olSulcatol1569-60-45-Hepten-2-ol, 6-methyl-2-Methyl-2-hepten-6-ol(+/-)-6-Methyl-5-Hepten-2-ol4630-06-2(R)-Sulcatol6-Hydroxy-2-methyl-2-heptene

Molecular Weight

128.21 g/mol

Molecule Formula

C8H16O

Molecular Formula

C8H16O

Molecular Formula

C8H16O

Num Rotatable Bonds