Basic information
- Standard SMILES
CC(C)C1CCC(N=C=O)CC1- InChIKey
LNUYKKUDFXIMPN-UHFFFAOYSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
Names & identifiers
- Preferred name
- 4-Isopropylcyclohexylisocyanate
- IUPAC
- 1-isocyanato-4-propan-2-ylcyclohexane
Names & synonyms
1-isocyanato-4-(propan-2-yl)cyclohexane4796-18-34-isopropylcyclohexylisocyanateSCHEMBL9275110LNUYKKUDFXIMPN-UHFFFAOYSA-NAKOS040806145EN300-1838256(1r,4r)-1-isocyanato-4-(propan-2-yl)cyclohexane1639968-78-7
Database identifiers
- PubChem CID
- 19935138
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
2 records
Compound notes
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