Basic information
- CAS
54314-72-6- Standard SMILES
CCCCCC(O)C=CCC(CCCCCCC(=O)O)C(C)=O- InChIKey
DTMHMUBDLJAQOS-UHFFFAOYSA-N- Molecular formula
- C19H34O4
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.24570956
Names & identifiers
- Preferred name
- 8-Acetyl-12-hydroxyheptadec-10-enoic acid
- IUPAC
- 8-acetyl-12-hydroxyheptadec-10-enoic acid
Names & synonyms
8-ACETYL-12-HYDROXYHEPTADEC-10-ENOIC ACID54314-72-6SCHEMBL11616521DTXSID00706595
Database identifiers
- CAS
54314-72-6- PubChem CID
- 53778397
- DTXSID
DTXSID00706595
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…