Basic information
- CAS
39115-08-7- Standard SMILES
CC(=O)CCCCCCCCCCCCC(=O)O- InChIKey
ASPRDWSVJBWGBT-UHFFFAOYSA-N- Molecular formula
- C15H28O3
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.20384475
Overview
14-keto pentadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 14-Keto pentadecanoic acid
- IUPAC
- 14-oxopentadecanoic acid
- English name
- 14-Oxopentadecanoic acid
- Molecular formula
- C15H28O3
- Molecular weight
- 256.38
Names & synonyms
14-oxopentadecanoic acid14-keto pentadecanoic acid14-oxo-pentadecanoic acid39115-08-7SCHEMBL2348686DTXSID50415261CHEBI:137798LMFA01060049Pentadecanoic acid, 14-oxo-
Database identifiers
- CAS
39115-08-7- PubChem CID
- 5282995
- DTXSID
DTXSID50415261- ChEBI
CHEBI:137798- Nikkaji
- J206.171F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Melting point
- 78.4 · 78.4-79.4 °C
- Boiling point
- 390.2 · 390.2±15.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Chemistry & industry
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Additional notes
DefinitionChEBI: 14-keto pentadecanoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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