3-Methylpentyl isovalerate
Basic information
- CAS
35852-41-6- Standard SMILES
CCC(C)CCOC(=O)CC(C)C- InChIKey
BCLOAPWHACMPQO-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 3-Methylpentyl isovalerate
- IUPAC
- 3-methylpentyl 3-methylbutanoate
- English name
- 3-methylpentyl isovalerate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29118
Names & synonyms
3-Methylpentyl isovalerate3-methylpentyl 3-methylbutanoate35852-41-6EINECS 252-758-9SCHEMBL3508684DTXSID80957260BCLOAPWHACMPQO-UHFFFAOYSA-NAKOS006328117DB-283149NS000589273-Methylbutanoic acid 3-methylpentyl ester
Database identifiers
- CAS
35852-41-6- PubChem CID
- 3084615
- DTXSID
DTXSID80957260- EC Number
- 252-758-9
- Nikkaji
- J319.546E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- LogP
- 4.06 · 4.060 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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