Cyclohexanol, 4-phenyl-1-(2-propynyl)-, carbamate, (E)-
Basic information
- CAS
41416-56-2- Standard SMILES
C#CCC1(NC(=O)O)CCC(c2ccccc2)CC1- InChIKey
KCRXXFUQNUJCIZ-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- Cyclohexanol, 4-phenyl-1-(2-propynyl)-, carbamate, (E)-
- IUPAC
- (4-phenyl-1-prop-2-ynylcyclohexyl)carbamic acid
- English name
- 1-(2-Propynyl)-4β-phenyl-1α-cyclohexanol carbamate
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
M.G. 6351Cyclohexanol, 4-phenyl-1-(2-propynyl)-, carbamate, (E)-41416-56-2BRN 2464244DTXSID10194343trans-4-Phenyl-1-(2-propynyl)cyclohexanol carbamatetrans-(4-Fenil-1-(2-propinil)cicloesil)carbammato [Italian]trans-(4-Fenil-1-(2-propinil)cicloesil)carbammatoRefChem:335525DTXCID20116834[4-phenyl-1-(prop-2-yn-1-yl)cyclohexyl]carbamic acidMG-6351
Show more names
1-(2-Propynyl)-4β-phenyl-1α-cyclohexanol carbamateCyclohexanol, 4-phenyl-1-(2-propynyl)-, carbamate, trans- (9CI)
Database identifiers
- CAS
41416-56-2- PubChem CID
- 218952
- DTXSID
DTXSID10194343
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 414.2 · 414.2±34.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.50(Predicted)
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Compound notes
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