Methyl 14-methylheptadecanoate
Basic information
- CAS
2490-23-5- Standard SMILES
CCCC(C)CCCCCCCCCCCCC(=O)OC- InChIKey
IAHAMDDIZJPOGW-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
METHYL 14-METHYLHEPTADECANOATE has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- Methyl 14-methylheptadecanoate
- IUPAC
- methyl 14-methylheptadecanoate
- English name
- 14-Methylheptadecanoic acid methyl ester
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
METHYL 14-METHYLHEPTADECANOATEHeptadecanoic acid, 14-methyl-, methyl esterDTXSID602745882490-23-5RefChem:157178DTXCID70226058IAHAMDDIZJPOGW-UHFFFAOYSA-N14-Methylheptadecanoic acid methyl ester
Database identifiers
- CAS
2490-23-5、2490-49-5- PubChem CID
- 17219
- DTXSID
DTXSID60274588- Nikkaji
- J108.356B
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 139 · 139-144 °C(Press: 0.2 Torr)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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