Methyl 2-hexyldecanoate
Basic information
- CAS
54889-76-8- Standard SMILES
CCCCCCCCC(CCCCCC)C(=O)OC- InChIKey
PBRCCXNUTAGYJI-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Names & identifiers
- Preferred name
- Methyl 2-hexyldecanoate
- IUPAC
- methyl 2-hexyldecanoate
- English name
- 2-Hexyldecanoic acid methyl ester
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
Methyl 2-hexyldecanoate54889-76-8Decanoic acid, 2-hexyl-, methyl ester2-Hexyldecanoic acid methyl esterMethyl 2-hexyldecanoate #SCHEMBL10356892DTXSID40970218PBRCCXNUTAGYJI-UHFFFAOYSA-NDB-303373methyl2-hexyldecanoate
Database identifiers
- CAS
54889-76-8- PubChem CID
- 108264
- DTXSID
DTXSID40970218- Nikkaji
- J47.595E
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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