Basic information
- CAS
41416-61-9- Standard SMILES
C#CC(OC(N)=O)C1CCCCC1- InChIKey
SZRPREBYFLNHLL-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 1-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidate
- IUPAC
- 1-cyclohexylprop-2-ynyl carbamate
- English name
- α-Ethynylcyclohexanemethanol carbamate
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.2316
Names & synonyms
41416-61-9DTXSID509616721-Cyclohexylprop-2-yn-1-yl hydrogen carbonimidateRefChem:1055312DTXCID501389492alpha-Ethynylcyclohexanemethanol carbamateM.G. 6363BRN 2447536Cyclohexanemethanol, alpha-ethynyl-, carbamateMG-6363α-Ethynylcyclohexanemethanol carbamateCyclohexanemethanol, α-ethynyl-, carbamate (9CI)
Database identifiers
- CAS
41416-61-9- PubChem CID
- 218955
- DTXSID
DTXSID50961672- Nikkaji
- J75.416A
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
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 316.7 · 316.7±25.0 °C(Predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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