Benzyl [(1r,2r)-2-formylcyclohexyl]carbamate

Substructure search Find similar structures

Basic information

CAS: 275815-60-6
Standard SMILES: O=C[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1
InChIKey: HCFGLGKFSHWJJJ-UONOGXRCSA-N
Molecular formula: C15H19NO3
Average molar mass: 261.32 g/mol
Monoisotopic mass: 261.13649347

Names & identifiers

Preferred name: Benzyl [(1r,2r)-2-formylcyclohexyl]carbamate
IUPAC: benzyl N-[(1R,2R)-2-formylcyclohexyl]carbamate

Names & synonyms

benzyl [(1r,2r)-2-formylcyclohexyl]carbamate275815-60-6SCHEMBL3878027DTXSID90652239HCFGLGKFSHWJJJ-UONOGXRCSA-NAKOS015963724benzyl[(1r,2r)-2-formylcyclohexyl]carbamatetrans-(+/-)-benzyl[2-formylcyclohexyl]carbamate

Database identifiers

CAS: 275815-60-6
PubChem CID: 29923903
DTXSID: DTXSID90652239

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 300

Related reactions

2 records

New reaction record

HRID 1592336As productuspto-grants-2007_11

HRID 1592337As reactantuspto-grants-2007_11

Compound notes

Loading…