Basic information
- CAS
13126-37-9- Standard SMILES
CCCCC/C=C\CCCCCCCCCCC(=O)O- InChIKey
OXEDXHIBHVMDST-SREVYHEPSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
Cis-12-oleic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 12-Octadecenoic acid, (12Z)-
- IUPAC
- (Z)-octadec-12-enoic acid
- English name
- 12(Z)-Octadecenoic acid
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
13126-37-9(Z)-12-Octadecenoic acid12-Octadecenoic acid, (Z)-12-Octadecenoic acid, (12Z)-G18P32P8GWRefChem:1057433cis-12-Octadecenoic acidcis-12-oleic acid(Z)-octadec-12-enoic acid12Z-octadecenoic acidCHEMBL1917278UNII-G18P32P8GW
Show more names
(12Z)-12-octadecenoic acid4lktcis-12-Octadecenoicacidorb3212136SCHEMBL2734188CHEBI:196198OXEDXHIBHVMDST-SREVYHEPSA-NDTXSID101358049
Database identifiers
- CAS
13126-37-9- PubChem CID
- 446285
- DTXSID
DTXSID101358049- ChEMBL
CHEMBL1917278- ChEBI
CHEBI:196198- UNII
- G18P32P8GW
- Nikkaji
- J650.012I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Melting point
- 26.5 · 26.5-27.5 °C
- Boiling point
- 398.2 · 398.2±11.0 °C(Predicted)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 18 P32P8GW · G18P32P8GW
Chemistry & industry
Suppliers3 total
Alfa Chemistry1-516-6625404 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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