Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1846
- Core Entity Id
- 5239
- Source Entity Count
- 1
- Preferred Name
- 2-ethoxybutane
- Name En
- Pubchem Id
- 17586
- Smiles Canonical
- CCC(C)OCC
- Molecular Formula
- C6H14O
- Molecular Weight
- 102.1770
- Inchikey
- VSCUCHUDCLERMY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
- Isomeric Smiles
- CCC(C)OCC
- Cas Id
- Ob Score
- Mol Logp
- 1.8214
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Ethoxybutane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-ethoxybutane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-ethoxybutane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Ethoxy-Butane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethoxy-Butane
Role
alias
Source
HERB_v2
Preferred
No
Name
2679-87-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2679-87-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butane, 2-ethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butane, 2-ethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 220-234-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 220-234-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Ether, sec-butyl ethyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Ether, sec-butyl ethyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl sec-butyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl sec-butyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA No. 3131
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3131
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-9NHX6V19XI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9NHX6V19XI
Role
alias
Source
itcmdb_public
Preferred
No
Name
sec-Butyl ethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
sec-Butyl ethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
ether, sec-butyl ethyl
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2-Ethoxy-Butane2679-87-0Butane, 2-ethoxy-EINECS 220-234-9Ether, sec-butyl ethylEthyl sec-butyl etherFEMA No. 3131UNII-9NHX6V19XIsec-Butyl ethyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005595HBIN025839
Npass
NPC78235
Tcmid
3278840544
Pub Chem
17586
Tcmbank
TCMBANKIN060671
Etcm Ingredient
2-Ethoxybutane
Itcmdb Generated
ITX-INGREDIENT-F1E7E9533D19
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
Mol Wt
102.177
Smiles
CCC(C)OCC
Mol Log P
1.8214
In Ch Ikey
VSCUCHUDCLERMY-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.528
Num Hacceptors
1
Isomeric Smiles
CCC(C)OCC
Canonical Smiles
CCC(C)OCC
Herb Alias Names
sec-Butyl ethyl ether2679-87-0Butane, 2-ethoxy-Ethyl sec-butyl etherEther, sec-butyl ethyl2-Ethoxy-ButaneFEMA No. 3131UNII-9NHX6V19XIEINECS 220-234-9
Molecular Weight
102.100
Molecular Weight
102.17 g/mol
Molecular Formula
C6H14O
Molecular Formula
C6H14O
Molecular Formula
C6H14O
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.528