Cyclohexanecarboxylic acid, 4-butyl-, 4-(pentyloxy)phenyl ester
Basic information
- CAS
56359-72-9- Standard SMILES
CCCCCOc1ccc(OC(=O)C2CCC(CCCC)CC2)cc1- InChIKey
RZBSEGBMCJSSPZ-UHFFFAOYSA-N- Molecular formula
- C22H34O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.25079494
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-butyl-, 4-(pentyloxy)phenyl ester
- IUPAC
- (4-pentoxyphenyl) 4-butylcyclohexane-1-carboxylate
Names & synonyms
56359-72-9Cyclohexanecarboxylic acid, 4-butyl-, 4-(pentyloxy)phenyl esterDTXSID30345113RefChem:335345DTXCID402961874-(PENTYLOXY)PHENYL 4-BUTYLCYCLOHEXANE-1-CARBOXYLATE4cHCaA5OPSCHEMBL10457107SCHEMBL10457108RZBSEGBMCJSSPZ-WGSAOQKQSA-N4-(Pentyloxy)phenyl 4-butylcyclohexanecarboxylate #
Database identifiers
- CAS
56359-72-9- PubChem CID
- 601940
- DTXSID
DTXSID30345113- Nikkaji
- J1.311.775F、J2.965.867F
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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