Basic information
- CAS
89356-02-5- Standard SMILES
CCCCC1CCC(C(=O)Oc2ccc(CCC)cc2)CC1- InChIKey
ZMYWQRQTUKPLRA-UHFFFAOYSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- 4-Propylphenyl 4-butylcyclohexanecarboxylate
- IUPAC
- (4-propylphenyl) 4-butylcyclohexane-1-carboxylate
Names & synonyms
4-Propylphenyl 4-butylcyclohexanecarboxylate89356-02-5DTXSID30339739RefChem:295979DTXCID20290820SCHEMBL8029232SCHEMBL8045353AKOS0030362464-Propylphenyl 4-butylcyclohexanecarboxylate #4-PROPYLPHENYL 4-BUTYLCYCLOHEXANE-1-CARBOXYLATECyclohexanecarboxylic acid, 4-butyl-, 4-propylphenyl ester
Database identifiers
- CAS
89356-02-5- PubChem CID
- 558176
- DTXSID
DTXSID30339739
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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