1-Bicyclo(4.2.0)octa-1,3,5-trien-7-ylethanone O-butyloxime

HCID 23738

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Basic information

CAS: 7315-27-7
Standard SMILES: CCCCON=C(C)C1Cc2ccccc21
InChIKey: QPISRRRYGOHYGI-UHFFFAOYSA-N
Molecular formula: C14H19NO
Average molar mass: 217.31 g/mol
Monoisotopic mass: 217.14666423

Names & identifiers

Preferred name: 1-Bicyclo(4.2.0)octa-1,3,5-trien-7-ylethanone O-butyloxime
IUPAC: 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-butoxyethanimine

Names & synonyms

7315-27-71-Bicyclo[4.2.0]octa-1,3,5-trien-7-ylethanone O-butyloxime1-Bicyclo(4.2.0)octa-1,3,5-trien-7-ylethanone O-butyloximeRefChem:228190DTXSID1011917701-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-butoxyethan-1-imine

Database identifiers

CAS: 7315-27-7
PubChem CID: 23738
DTXSID: DTXSID101191770

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 21.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 249

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