Basic information
- CAS
54934-56-4- Standard SMILES
CCCCCCCCCCCCCCC(C)CC(=O)OC- InChIKey
PJSCLYQYZMWJFQ-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Names & identifiers
- Preferred name
- Methyl 3-methylheptadecanoate
- IUPAC
- methyl 3-methylheptadecanoate
- English name
- 3-Methylheptadecanoic acid methyl ester
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
Methyl 3-methylheptadecanoate54934-56-4Heptadecanoic acid, 3-methyl-, methyl esterDTXSID50339170RefChem:355120DTXCID50290252PJSCLYQYZMWJFQ-UHFFFAOYSA-N3-Methylheptadecanoic acid methyl ester3-methylheptade-canoic acid methyl esterDB-357227
Database identifiers
- CAS
54934-56-4- PubChem CID
- 554170
- DTXSID
DTXSID50339170- Nikkaji
- J108.359G
Properties
Computed structural properties
- XLogP
- 8.4
- 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
- 340.7 · 340.7±10.0 °C(Predicted)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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