Basic information
- CAS
64144-78-1- Standard SMILES
C=CCCCCC#CC#CC(O)CCCCCCC(=O)O- InChIKey
KWLVIGJGNBJKPA-UHFFFAOYSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Overview
Isanolic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- Isanolic acid
- IUPAC
- 8-hydroxyoctadec-17-en-9,11-diynoic acid
- English name
- 17-Octadecene-9,11-diynoic acid, 8-hydroxy-
- Molecular formula
- C18H26O3
- Molecular weight
- 290.4
Names & synonyms
Isanolic acid17-Octadecene-9,11-diynoic acid, 8-hydroxy-64144-78-18-hydroxy-17-octadecene-9,11-diynoic acidDTXSID30415608RefChem:148887DTXCID603664578-hydroxyoctadec-17-en-9,11-diynoic acidSCHEMBL1935440CHEBI:173157LMFA020002008-hydroxy-17-octadecen-9,11-diynoic acid
Show more names
8-Hydroxyoctadec-17-ene-9,11-diynoic acidQ54932269
Database identifiers
- CAS
64144-78-1- PubChem CID
- 5312840
- DTXSID
DTXSID30415608- ChEBI
CHEBI:173157
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Boiling point
- 477.6 · 477.6±45.0 °C(Predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
Chemistry & industry
Suppliers1 total
拓元（潍坊）新材料科技有限公司13940155665 · [email protected]
Additional notes
DefinitionChEBI: Isanolic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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