Ethyl 1-cyano-2,2,3,3-tetramethoxy-4-phenyl-cyclobutane-1-carboxylate

HCID 338796

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Basic information

CAS: 56069-45-5
Standard SMILES: CCOC(=O)C1(C#N)C(c2ccccc2)C(OC)(OC)C1(OC)OC
InChIKey: CNMIPAIZGMKHPO-UHFFFAOYSA-N
Molecular formula: C18H23NO6
Average molar mass: 349.4 g/mol
Monoisotopic mass: 349.15253745

Names & identifiers

Preferred name: Ethyl 1-cyano-2,2,3,3-tetramethoxy-4-phenyl-cyclobutane-1-carboxylate
IUPAC: ethyl 1-cyano-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carboxylate

Names & synonyms

56069-45-5ETHYL 1-CYANO-2,2,3,3-TETRAMETHOXY-4-PHENYL-CYCLOBUTANE-1-CARBOXYLATEethyl 1-cyano-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carboxylateNSC362886DTXSID10320660NSC-362886DS-007666AG-650/41069224ethyl 1-cyano-2,2,3,3-tetramethoxy-4-phenylcyclobutanecarboxylate

Database identifiers

CAS: 56069-45-5
PubChem CID: 338796
DTXSID: DTXSID10320660

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 87 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 527

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