Basic information
- CAS
55124-98-6- Standard SMILES
CCCCCCCCCCCC(C)CCCCCC(=O)OC- InChIKey
YBLJDTLZEBSSHY-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- Methyl 7-methyloctadecanoate
- IUPAC
- methyl 7-methyloctadecanoate
- English name
- 7-Methylstearic acid methyl ester
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
Methyl 7-methyloctadecanoateOctadecanoic acid, 7-methyl-, methyl ester55124-98-6RefChem:157736YBLJDTLZEBSSHY-UHFFFAOYSA-N7-Methylstearic acid methyl esterDTXSID601309142DB-307403
Database identifiers
- CAS
55124-98-6- PubChem CID
- 554149
- DTXSID
DTXSID601309142- Nikkaji
- J111.464F
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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