Basic information
- CAS
100054-86-2- Standard SMILES
C#CC1(OC(=O)NCC)CCCCC1- InChIKey
MRDYJSKKLDHNBF-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
Names & identifiers
- Preferred name
- 1-Ethynylcyclohexyl ethylcarbamate
- IUPAC
- (1-ethynylcyclohexyl) N-ethylcarbamate
- English name
- Carbamic acid, ethyl-, 1-ethynylcyclohexyl ester (6CI)
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.25818
Names & synonyms
100054-86-21-Ethynylcyclohexyl ethylcarbamate1-EthynylcyclohexylethylcarbamateCarbamic acid, ethyl-, 1-ethynylcyclohexyl ester (6CI)
Database identifiers
- CAS
100054-86-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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