Basic information
- CAS
175784-02-8- Standard SMILES
CCCCCC1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(CCCC)CC3)cc2)CC1- InChIKey
RCHLFDKNDJHQKC-UHFFFAOYSA-N- Molecular formula
- C29H44O4
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.32395988
Names & identifiers
- Preferred name
- 5cHCaA4cHCaAP
- IUPAC
- [4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
- English name
- [trans(trans)]-4-Butylcyclohexanecarboxylic acid 4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenyl ester
- Molecular formula
- C29H44O4
- Molecular weight
- 456.66
Names & synonyms
5cHCaA4cHCaAP175784-02-8DTXSID9013538814-Butylcyclohexanecarboxylic acid 4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenyl ester4a[(1s,4r)a4aPentylcyclohexanecarbonyloxy]phenyl (1s,4r)a4abutylcyclohexanea1acarboxylatePentacyclohexyl formic acid butyl cyclohexyl oxyphenol[trans(trans)]-4-Butylcyclohexanecarboxylic acid 4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenyl esterCyclohexanecarboxylicacid,4-butyl-,4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenylester,[trans(trans)]-Cyclohexanecarboxylic acid, 4-butyl-, 4-[[(4-pentylcyclohexyl)carbonyl]oxy]phenyl ester, [trans(trans)]- (9CI)
Database identifiers
- CAS
175784-02-8- PubChem CID
- 175667780
- DTXSID
DTXSID901353881
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 551.3 · 551.3±33.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941 · [email protected]
湖北威德利化学试剂有限公司027-83778876; 13667159345 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…