(2-Cyclohexylcyclohexyl) 3-methylbutanoate
Basic information
- CAS
6935-70-2- Standard SMILES
CC(C)CC(=O)OC1CCCCC1C1CCCCC1- InChIKey
DXAZFEAMBMPRFO-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- (2-Cyclohexylcyclohexyl) 3-methylbutanoate
- IUPAC
- (2-cyclohexylcyclohexyl) 3-methylbutanoate
Names & synonyms
6935-70-2(2-cyclohexylcyclohexyl) 3-methylbutanoateNSC23961DTXSID00328392NSC-23961[1,1'-Bi(cyclohexan)]-2-yl 3-methylbutanoate
Database identifiers
- CAS
6935-70-2- PubChem CID
- 409828
- DTXSID
DTXSID00328392
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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