Basic information
- CAS
175784-01-7- Standard SMILES
CCCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(CCC)CC3)cc2)CC1- InChIKey
PZOTXQRQYKRWKL-UHFFFAOYSA-N- Molecular formula
- C28H42O4
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.30830982
Names & identifiers
- Preferred name
- 5cHCaA3cHCaAP
- IUPAC
- [4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
Names & synonyms
5cHCaA3cHCaAP175784-01-7DTXSID6013538824-Propylcyclohexanecarboxylic acid 4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenyl ester4a[(1s,4r)a4aPentylcyclohexanecarbonyloxy]phenyl (1s,4r)a4apropylcyclohexanea1acarboxylate
Database identifiers
- CAS
175784-01-7- PubChem CID
- 175667779
- DTXSID
DTXSID601353882
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 550
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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