(1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime

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Basic information

CAS: 58609-72-6
Standard SMILES: CC(C)Cc1ccc(C(C)C=NO)cc1
InChIKey: TVVYFXMDNBMONX-UHFFFAOYSA-N
Molecular formula: C13H19NO
Average molar mass: 205.3 g/mol
Monoisotopic mass: 205.14666423

Names & identifiers

Preferred name: (1E)-2-[4-(2-methylpropyl)phenyl]propanal oxime
IUPAC: N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine

Names & synonyms

N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine(1E)-2-[4-(2-methylpropyl)phenyl]propanal oximeN-{2-[4-(2-METHYLPROPYL)PHENYL]PROPYLIDENE}HYDROXYLAMINESCHEMBL11550383TVVYFXMDNBMONX-UHFFFAOYSA-NDTXSID101236609Benzeneacetaldehyde, I+/--methyl-4-(2-methylpropyl)-, oxime

Database identifiers

CAS: 58609-72-6
PubChem CID: 94133
DTXSID: DTXSID101236609

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 193

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Compound notes

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