2,3-Dicyano-4-(pentyloxy)phenyl 4-propylcyclohexanecarboxylate
Basic information
- CAS
75941-50-3- Standard SMILES
CCCCCOc1ccc(OC(=O)C2CCC(CCC)CC2)c(C#N)c1C#N- InChIKey
ZEXWCPMYHZXXSZ-UHFFFAOYSA-N- Molecular formula
- C23H30N2O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.22564282
Names & identifiers
- Preferred name
- 2,3-Dicyano-4-(pentyloxy)phenyl 4-propylcyclohexanecarboxylate
- IUPAC
- (2,3-dicyano-4-pentoxyphenyl) 4-propylcyclohexane-1-carboxylate
Names & synonyms
3cHCaA5OdCP2,3-Dicyano-4-(pentyloxy)phenyl 4-propylcyclohexanecarboxylate75941-50-3SCHEMBL6520103SCHEMBL11138662ZEXWCPMYHZXXSZ-UHFFFAOYSA-NDTXSID6013538562,3-Dicyano-4-(pentyloxy)phenyl 4-propylcyclohexanecarboxylate #Cyclohexanecarboxylic acid, 4-propyl-, 2,3-dicyano-4-(pentyloxy)phenyl estertrans-4-Propylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
Database identifiers
- CAS
75941-50-3- PubChem CID
- 580468
- DTXSID
DTXSID601353856
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
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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