Cyclohexanol, 1-ethynyl-4-phenyl-, carbamate, (E)-
Basic information
- CAS
41416-54-0- Standard SMILES
C#CC1(NC(=O)O)CCC(c2ccccc2)CC1- InChIKey
ISTRJHCBMWHJSL-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- Cyclohexanol, 1-ethynyl-4-phenyl-, carbamate, (E)-
- IUPAC
- (1-ethynyl-4-phenylcyclohexyl)carbamic acid
- English name
- 1-Ethynyl-4β-phenyl-1α-cyclohexanol carbamate
- Molecular formula
- C15H17NO2
- Molecular weight
- 243.3
Names & synonyms
41416-54-0Cyclohexanol, 1-ethynyl-4-phenyl-, carbamate, (E)-M.G. 6211BRN 2460447trans-(4-Fenil-1-etinilcicloesil)carbammatotrans-1-Ethynyl-4-phenylcyclohexanol carbamateDTXSID50194342trans-(4-Fenil-1-etinilcicloesil)carbammato [Italian]RefChem:335468DTXCID60116833(1-ethynyl-4-phenylcyclohexyl)carbamic acidMG-6211
Show more names
1-Ethynyl-4β-phenyl-1α-cyclohexanol carbamateCyclohexanol, 1-ethynyl-4-phenyl-, carbamate, trans- (9CI)
Database identifiers
- CAS
41416-54-0- PubChem CID
- 218951
- DTXSID
DTXSID50194342
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 395.6 · 395.6±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.50(Predicted)
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Related reactions
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Compound notes
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