4-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate
Basic information
- CAS
94732-93-1- Standard SMILES
CCCCCC1CCC(C2CCC(C(=O)OC3CCC(CCC)CC3)CC2)CC1- InChIKey
OVFOZIMLZLERHF-UHFFFAOYSA-N- Molecular formula
- C27H48O2
- Average molar mass
- 404.7 g/mol
- Monoisotopic mass
- 404.36543077
Names & identifiers
- Preferred name
- 4-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate
- IUPAC
- (4-propylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
- English name
- 4-propylcyclohexyl [trans[trans(trans)]]-4'-pentyl[1,1'-bicyclohexyl]-4-carboxylate
- Molecular formula
- C27H48O2
- Molecular weight
- 404.67
Names & synonyms
94732-93-1EINECS 305-575-44-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate5bcHCaA3cHSCHEMBL10660725SCHEMBL10660736DTXSID90915336OVFOZIMLZLERHF-UHFFFAOYSA-NRel-(1s,4R)-4-propylcyclohexyl (1R,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate4-propylcyclohexyl 4-(4-pentylcyclohexyl)cyclohexanecarboxylate(4-propylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate4-Propylcyclohexyl 4'-pentyl[1,1'-bi(cyclohexane)]-4-carboxylate
Show more names
Propyl cyclohexyl alcohol ester of pentadicyclohexyl formate4-Propylcyclohexyl(trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate4-propylcyclohexyl [trans[trans(trans)]]-4'-pentyl[1,1'-bicyclohexyl]-4-carboxylate(1α,1'α)-4'β-Pentyl-1,1'-bicyclohexane-4β-carboxylic acid 4β-propylcyclohexan-1α-yl ester(trans,trans)-4'-Pentyl-[1,1'-bicyclohexyl]-4-carboxylic acid trans-4-propylcyclohexyl ester[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, trans-4-propylcyclohexyl ester, (trans,trans)-
4-Propylcyclohexyl[trans[trans(trans)]]-4'-pentyl[1,1'-bicyclohexyl]-4-carboxylateEINECS 305-575-4, 4-Propylcyclohexyl (trans(trans(trans)))-4-pentyl(1,1-bicyclohexyl)-4-carboxylate, 94732-93-1
Database identifiers
- CAS
94732-93-1- PubChem CID
- 20135153
- DTXSID
DTXSID90915336- EC Number
- 305-575-4
- Nikkaji
- J326.340A
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 449
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 454.2 · 454.2±13.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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