Heptyl 2-methylpentanoate
Basic information
- CAS
6640-74-0- Standard SMILES
CCCCCCCOC(=O)C(C)CCC- InChIKey
GGGDUESNMWPZRK-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- Heptyl 2-methylpentanoate
- IUPAC
- heptyl 2-methylpentanoate
- English name
- Heptyl 2-Methylpentanoate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.35
Names & synonyms
6640-74-0heptyl 2-methylpentanoateNSC17924SCHEMBL7217063DTXSID00280683NSC-17924Pentanoic acid, 2-methyl-, heptyl ester
Database identifiers
- CAS
6640-74-0- PubChem CID
- 226937
- DTXSID
DTXSID00280683
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 248.9 · 248.9±8.0 °C(Predicted)
- Density
- 0.867 · 0.867±0.06 g/cm3(Predicted)
- LogP
- 5.215 · 5.215 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…