(2-Cyclohexylcyclohexyl) octanoate
Basic information
- CAS
5457-49-8- Standard SMILES
CCCCCCCC(=O)OC1CCCCC1C1CCCCC1- InChIKey
JZJYBCWANZPAHU-UHFFFAOYSA-N- Molecular formula
- C20H36O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.27153039
Names & identifiers
- Preferred name
- (2-Cyclohexylcyclohexyl) octanoate
- IUPAC
- (2-cyclohexylcyclohexyl) octanoate
Names & synonyms
5457-49-8(2-cyclohexylcyclohexyl) octanoateNSC24736DTXSID30328401NSC-24736[1,1'-Bi(cyclohexan)]-2-yl octanoate
Database identifiers
- CAS
5457-49-8- PubChem CID
- 409896
- DTXSID
DTXSID30328401
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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