Basic information
- CAS
10276-89-8- Standard SMILES
CCCC(=O)OC1CCCCC1C1CCCCC1- InChIKey
NUDKHOLOVCXNHR-UHFFFAOYSA-N- Molecular formula
- C16H28O2
- Average molar mass
- 252.39 g/mol
- Monoisotopic mass
- 252.20893013
Names & identifiers
- Preferred name
- 1,1'-Bi(cyclohexyl)-2-yl butanoate
- IUPAC
- (2-cyclohexylcyclohexyl) butanoate
Names & synonyms
10276-89-81,1'-bi(cyclohexyl)-2-yl butanoateNSC23755DTXSID20281995NSC-23755[1,1'-Bi(cyclohexan)]-2-yl butanoate
Database identifiers
- CAS
10276-89-8- PubChem CID
- 229796
- DTXSID
DTXSID20281995
Properties
Computed structural properties
- XLogP
- 5.4
- 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
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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