3-Cyclohexylpropyl isovalerate
Basic information
- CAS
93857-92-2- Standard SMILES
CC(C)CC(=O)OCCCC1CCCCC1- InChIKey
UBRSOJDKMYAROK-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 3-Cyclohexylpropyl isovalerate
- IUPAC
- 3-cyclohexylpropyl 3-methylbutanoate
- English name
- 3-cyclohexylpropyl isovalerate
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35504
Names & synonyms
3-Cyclohexylpropyl isovalerate93857-92-23-cyclohexylpropyl 3-methylbutanoateEINECS 299-226-2CS5VPQ5UQ8DTXSID00239797UBRSOJDKMYAROK-UHFFFAOYSA-NNS00039695Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester3-Methylbutyric acid 3-cyclohexylpropyl ester
Database identifiers
- CAS
93857-92-2- PubChem CID
- 3022686
- DTXSID
DTXSID00239797- UNII
- CS5VPQ5UQ8
- EC Number
- 299-226-2
- Nikkaji
- J317.704A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- LogP
- 5.24 · 5.240 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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