Cyclohexanone, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-

HCID 6447005

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Basic information

CAS: 69920-38-3
Standard SMILES: CN(C)CC1(C)CCC/C(=C/c2ccc3c(c2)OCO3)C1=O
InChIKey: BZKHOKRSWKVKOA-ZROIWOOFSA-N
Molecular formula: C18H23NO3
Average molar mass: 301.4 g/mol
Monoisotopic mass: 301.1677936

Names & identifiers

Preferred name: Cyclohexanone, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-
IUPAC: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one

Names & synonyms

Cyclohexanone, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-69920-38-3RefChem:10826036-(1,3-Benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methylcyclohexanone

Database identifiers

CAS: 69920-38-3
PubChem CID: 6447005

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 459

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