Basic information
- CAS
2490-17-7- Standard SMILES
CCCCC(C)CCCCCCCCCCCCC(=O)OC- InChIKey
DFYYJXKPWJCVLX-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- Methyl 14-methyloctadecanoate
- IUPAC
- methyl 14-methyloctadecanoate
- English name
- Methyl 14-methyloctadecanoate
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
Methyl 14-methyloctadecanoate2490-17-7Octadecanoic acid, 14-methyl-, methyl esterDTXSID20347944RefChem:353471DTXCID80299016DFYYJXKPWJCVLX-UHFFFAOYSA-NMethyl 14-methyloctadecanoate #14-Methylstearic acid methyl ester14-methyl-octadecanoic acid methyl ester
Database identifiers
- CAS
2490-17-7- PubChem CID
- 628441
- DTXSID
DTXSID20347944- Nikkaji
- J111.461A
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 159 · 159-162 °C(Press: 0.9 Torr)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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