Methyl 9-octylheptadecanoate
Basic information
- CAS
55373-88-1- Standard SMILES
CCCCCCCCC(CCCCCCCC)CCCCCCCC(=O)OC- InChIKey
WNWLYGMXRWZYHM-UHFFFAOYSA-N- Molecular formula
- C26H52O2
- Average molar mass
- 396.7 g/mol
- Monoisotopic mass
- 396.3967309
Names & identifiers
- Preferred name
- Methyl 9-octylheptadecanoate
- IUPAC
- methyl 9-octylheptadecanoate
- English name
- 9-Octylheptadecanoic acid methyl ester
- Molecular formula
- C26H52O2
- Molecular weight
- 396.69
Names & synonyms
Methyl 9-octylheptadecanoate55373-88-1DTXSID10347716RefChem:356500DTXCID002987889-Octylheptadecanoic acid methyl esterHeptadecanoic acid, 9-octyl-, methyl ester
Database identifiers
- CAS
55373-88-1- PubChem CID
- 624980
- DTXSID
DTXSID10347716- Nikkaji
- J128.785K
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 431.9 · 431.9±13.0 °C(Predicted)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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