Basic information
- CAS
1234032-17-7- Standard SMILES
CCCCCOc1ccc(OC(=O)C2CCC(CC)CC2)c(C#N)c1C#N- InChIKey
GXJNZOMQMQBDEQ-UHFFFAOYSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Names & identifiers
- Preferred name
- 2cHCaA5OdCP
- IUPAC
- (2,3-dicyano-4-pentoxyphenyl) 4-ethylcyclohexane-1-carboxylate
- English name
- trans-4-Ethylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
- Molecular formula
- C22H28N2O3
- Molecular weight
- 368.47
Names & synonyms
2cHCaA5OdCP1234032-17-7DTXSID6013539132,3-dicyano-4-(pentyloxy)phenyl 4-ethylcyclohexanecarboxylatetrans-4-Ethylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl esterEthyl cyclohexyl formic acid-23-dicyano-4-pentaxyphenol
Database identifiers
- CAS
1234032-17-7- PubChem CID
- 175667777
- DTXSID
DTXSID601353913
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 541.037 · 541.037±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.119 · 1.119±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers3 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
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