Basic information
- CAS
63884-48-0- Standard SMILES
C#CC1(OC(N)=O)CC(C)CC(C)C1- InChIKey
IWXFPCQUGQFOCN-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- Carbamic acid, 3,5-dimethyl-1-ethynylcyclohexyl ester
- IUPAC
- (1-ethynyl-3,5-dimethylcyclohexyl) carbamate
- English name
- Cyclohexanol,1-ethynyl-3,5-dimethyl,carbamate(9CI)
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
63884-48-0CARBAMIC ACID, 3,5-DIMETHYL-1-ETHYNYLCYCLOHEXYL ESTERRefChem:1080860USAF EL-1063,5-Dimethyl-1-ethynylcyclohexyl carbamateBRN 1955637DTXSID309806891-Ethynyl-3,5-dimethylcyclohexyl hydrogen carbonimidate3,5-Dimethyl-1-ethynylcyclohexyl=carbamateCyclohexanol,1-ethynyl-3,5-dimethyl,carbamate(9CI)
Database identifiers
- CAS
63884-48-0- PubChem CID
- 44936
- DTXSID
DTXSID30980689- Nikkaji
- J67.586E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 296.7 · 296.7±10.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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