Basic information
- CAS
5458-70-8- Standard SMILES
CCCC(=O)OC1CCC(C2CCCCC2)CC1- InChIKey
QRWJCNKHQCMBDM-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
- Monoisotopic mass
- 252.20893013
Names & identifiers
- Preferred name
- (4-Cyclohexylcyclohexyl) butanoate
- IUPAC
- (4-cyclohexylcyclohexyl) butanoate
Names & synonyms
5458-70-8(4-cyclohexylcyclohexyl) butanoateButyric acid, [bicyclohexyl]-4-yl esterButyric acid, 4-cyclohexylcyclohexyl esterDTXSID80281996WLN: L6TJ AOV3- AL6TJNSC23756NSC-23756[1,1'-Bi(cyclohexan)]-4-yl butanoate
Database identifiers
- CAS
5458-70-8- PubChem CID
- 229797
- DTXSID
DTXSID80281996- Nikkaji
- J42.781K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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