1,1'-Bi(cyclohexyl)-4-yl pentanoate
Basic information
- CAS
10534-90-4- Standard SMILES
CCCCC(=O)OC1CCC(C2CCCCC2)CC1- InChIKey
RRDANBZVZRSKOX-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- 1,1'-Bi(cyclohexyl)-4-yl pentanoate
- IUPAC
- (4-cyclohexylcyclohexyl) pentanoate
Names & synonyms
10534-90-41,1'-bi(cyclohexyl)-4-yl pentanoateNSC23757DTXSID40281997NSC 23757NSC-23757[1,1'-Bi(cyclohexan)]-4-yl pentanoate
Database identifiers
- CAS
10534-90-4- PubChem CID
- 229798
- DTXSID
DTXSID40281997
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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