Methyl 9-hexadecenoate
Basic information
- CAS
3913-63-1- Standard SMILES
CCCCCCC=CCCCCCCCC(=O)OC- InChIKey
IZFGRAGOVZCUFB-UHFFFAOYSA-N- Molecular formula
- C17H32O2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.24023026
Overview
methyl hexadec-9-enoate has been reported in Acyrthosiphon pisum, Carica papaya, and other organisms with data available.
Names & identifiers
- Preferred name
- Methyl 9-hexadecenoate
- IUPAC
- methyl hexadec-9-enoate
- English name
- 9-Hexadecenoic acid methyl ester
- Molecular formula
- C17H32O2
- Molecular weight
- 268.44
Names & synonyms
3913-63-1methyl 9-hexadecenoateDTXSID201347762RefChem:1089529DTXCID801333074Methyl cis-9-hexadecenoate9-hexadecenoic acid, methyl ester, (9Z)-9-Hexadecenoic acid methyl esterSCHEMBL161459AKOS025243510
Database identifiers
- CAS
3913-63-1- PubChem CID
- 14258
- DTXSID
DTXSID201347762
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 181 · 181-183 °C(Press: 15 Torr)
- Density
- 0.869 g/cm³ · 0.8690 g/cm³
- LogP
- 6.999 · 6.999 (est)
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Related reactions
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Compound notes
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