Basic information
- Standard SMILES
N#CCCOC(=O)CC1(CN=C=O)CCCCC1- InChIKey
OKJFLDKHOXVBGR-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- 2-Cyanoethyl 1-isocyanatomethyl-1-Cyclohexane Acetate
- IUPAC
- 2-cyanoethyl 2-[1-(isocyanatomethyl)cyclohexyl]acetate
Names & synonyms
SCHEMBL828337OKJFLDKHOXVBGR-UHFFFAOYSA-N2-Cyanoethyl 1-isocyanatomethyl-1-Cyclohexane Acetate
Database identifiers
- PubChem CID
- 85863752
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
5 records
Compound notes
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