4-Methylcyclohexyl 2-methylpropanoate
Basic information
- CAS
5460-50-4- Standard SMILES
CC1CCC(OC(=O)C(C)C)CC1- InChIKey
VGYLSEDWKCYOQQ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 4-Methylcyclohexyl 2-methylpropanoate
- IUPAC
- (4-methylcyclohexyl) 2-methylpropanoate
- English name
- NSC21847
- Molecular formula
- C11H20O2
- Molecular weight
- 184.2753
Names & synonyms
5460-50-44-methylcyclohexyl 2-methylpropanoateNSC21847SCHEMBL16185853SCHEMBL27577612DTXSID10281505NSC-21847
Database identifiers
- CAS
5460-50-4- PubChem CID
- 228737
- DTXSID
DTXSID10281505
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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