IngredientID 34763

Tbu

C4H10O

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 2Ingredient: 1Target: 12Links: 14

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 34763
Core Entity Id: 41829
Source Entity Count: 1
Preferred Name: Tbu
Name En
Pubchem Id: 6386
Smiles Canonical: CC(C)(C)O
Molecular Formula: C4H10O
Molecular Weight: 74.1230
Inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
Inchi: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
Isomeric Smiles: CC(C)(C)O
Cas Id: 75-65-0
Ob Score: 60.4460
Mol Logp: 0.7772
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 0
Drug Likeness: 0.4500
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Tbu

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

TBU

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Tbu

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Tbu

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Tbu

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(CH3)3C-OH

Role

alias

Source

TCMBank

Preferred

Name

1,1-Dimethylethanol

Role

alias

Source

TCMBank

Preferred

Name

1,1-Dimethylethanol

Role

alias

Source

itcmdb_public

Preferred

Name

1,1-Dimethylethanol

Role

alias

Source

HERB_v2

Preferred

Name

19460_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-propanol

Role

alias

Source

HERB_v2

Preferred

Name

2-Methyl-2-propanol

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-propanol

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methyl-2-propanol solution

Role

alias

Source

TCMBank

Preferred

Name

2-Methylpropan-2-ol

Role

alias

Source

HERB_v2

Preferred

Name

2-Methylpropan-2-ol

Role

alias

Source

TCMBank

Preferred

Name

2-Methylpropan-2-ol

Role

alias

Source

itcmdb_public

Preferred

Name

2-Propanol, 2-methyl-

Role

alias

Source

TCMBank

Preferred

Name

308250_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

33067_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

360538_SIAL

Role

alias

Source

TCMBank

Preferred

Name

4-01-00-01609 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

442790_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

449032_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

471712_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

50621_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

75-65-0

Role

alias

Source

itcmdb_public

Preferred

Name

75-65-0

Role

alias

Source

TCMBank

Preferred

Name

75-65-0

Role

alias

Source

HERB_v2

Preferred

Name

AI3-01288

Role

alias

Source

TCMBank

Preferred

Name

Alcool butylique tertiaire [French]

Role

alias

Source

TCMBank

Preferred

Name

Arconol

Role

alias

Source

TCMBank

Preferred

Name

B85927_SIAL

Role

alias

Source

TCMBank

Preferred

Name

BRN 0906698

Role

alias

Source

TCMBank

Preferred

Name

Butanol tertiaire [French]

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 4755

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:26878

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:45895

Role

alias

Source

TCMBank

Preferred

Name

Caswell No. 124A

Role

alias

Source

TCMBank

Preferred

Name

Dimethylethanol

Role

alias

Source

TCMBank

Preferred

Name

EINECS 200-889-7

Role

alias

Source

TCMBank

Preferred

Name

HSDB 50

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H

Role

alias

Source

TCMBank

Preferred

Name

Methanol, trimethyl-

Role

alias

Source

TCMBank

Preferred

Name

Methyl-2-propanol

Role

alias

Source

TCMBank

Preferred

Name

NCI-C55367

Role

alias

Source

TCMBank

Preferred

Name

T-BUTYL ALCOHOL

Role

alias

Source

itcmdb_public

Preferred

Name

T-BUTYL ALCOHOL

Role

alias

Source

HERB_v2

Preferred

Name

T-BUTYL ALCOHOL

Role

alias

Source

TCMBank

Preferred

Name

TERTIARY-BUTYL ALCOHOL

Role

alias

Source

TCMBank

Preferred

Name

Trimethyl methanol

Role

alias

Source

TCMBank

Preferred

Name

Trimethylcarbinol

Role

alias

Source

HERB_v2

Preferred

Name

Trimethylcarbinol

Role

alias

Source

TCMBank

Preferred

Name

Trimethylcarbinol

Role

alias

Source

itcmdb_public

Preferred

Name

ZINC01680021

Role

alias

Source

TCMBank

Preferred

Name

c0516

Role

alias

Source

TCMBank

Preferred

Name

t-Butanol

Role

alias

Source

HERB_v2

Preferred

Name

t-Butanol

Role

alias

Source

TCMBank

Preferred

Name

t-Butanol

Role

alias

Source

itcmdb_public

Preferred

Name

t-Butyl hydroxide

Role

alias

Source

HERB_v2

Preferred

Name

t-Butyl hydroxide

Role

alias

Source

TCMBank

Preferred

Name

t-Butyl hydroxide

Role

alias

Source

itcmdb_public

Preferred

Name

t-Butylalkohol

Role

alias

Source

TCMBank

Preferred

Name

t-butyl alchohol

Role

alias

Source

TCMBank

Preferred

Name

tert-Butanol

Role

alias

Source

HERB_v2

Preferred

Name

tert-Butanol

Role

alias

Source

TCMBank

Preferred

Name

tert-Butanol

Role

alias

Source

itcmdb_public

Preferred

Name

tert-Butanol solution

Role

alias

Source

TCMBank

Preferred

Name

tert-Butyl alcohol

Role

alias

Source

HERB_v2

Preferred

Name

tert-Butyl alcohol

Role

alias

Source

TCMBank

Preferred

Name

tert-Butyl alcohol

Role

alias

Source

itcmdb_public

Preferred

Name

tertiary alcohol

Role

alias

Source

TCMBank

Preferred

Name

tertiary alcohols

Role

alias

Source

TCMBank

Preferred

Name

tertiary-Butanol

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(CH3)3C-OH1,1-Dimethylethanol19460_FLUKA2-Methyl-2-propanol2-Methyl-2-propanol solution2-Methylpropan-2-ol2-Propanol, 2-methyl-308250_ALDRICH33067_RIEDEL360538_SIAL4-01-00-01609 (Beilstein Handbook Reference)442790_SUPELCO449032_ALDRICH471712_ALDRICH50621_FLUKA75-65-0AI3-01288Alcool butylique tertiaire [French]ArconolB85927_SIALBRN 0906698Butanol tertiaire [French]CCRIS 4755CHEBI:26878CHEBI:45895Caswell No. 124ADimethylethanolEINECS 200-889-7HSDB 50InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3HMethanol, trimethyl-Methyl-2-propanolNCI-C55367T-BUTYL ALCOHOLTERTIARY-BUTYL ALCOHOLTrimethyl methanolTrimethylcarbinolZINC01680021c0516t-Butanolt-Butyl hydroxidet-Butylalkoholt-butyl alchoholtert-Butanoltert-Butanol solutiontert-Butyl alcoholtertiary alcoholtertiary alcoholstertiary-Butanol

Cross References

Trusted external identifiers retained for this final record.

Cas

75-65-0

Herb

HBIN045811

Tcmsp

MOL005541

Sym Map

SMIT07286

Pub Chem

6386

Tcmbank

TCMBANKIN030337

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

Mol Wt

74.12299999999999

Cas Id

75-65-0

Smiles

CC(C)(C)O

Mol Log P

0.7771999999999999

Version

v1,v2

In Ch Ikey

DKGAVHZHDRPRBM-UHFFFAOYSA-N

Ob Score

60.44660.4463386660.446339

Suppress

Num Hdonors

Drug Likeness

0.45

Num Hacceptors

Isomeric Smiles

CC(C)(C)O

Molecule Weight

74.14

Canonical Smiles

CC(C)(C)O

Herb Alias Names

tert-Butanoltert-Butyl alcohol2-Methylpropan-2-ol2-Methyl-2-propanol75-65-0t-ButanolT-BUTYL ALCOHOLTrimethylcarbinol1,1-Dimethylethanolt-Butyl hydroxide

Molecular Weight

74.12

Molecular Formula

C4H10O

Molecular Formula

C4H10O

Num Rotatable Bonds