2,5-Dimethyl-4-pyridin-2-ylhexan-3-one

HCID 238342

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Basic information

CAS: 6312-15-8
Standard SMILES: CC(C)C(=O)C(c1ccccn1)C(C)C
InChIKey: KCVJNFYSNMJMKW-UHFFFAOYSA-N
Molecular formula: C13H19NO
Average molar mass: 205.3 g/mol
Monoisotopic mass: 205.14666423

Names & identifiers

Preferred name: 2,5-Dimethyl-4-pyridin-2-ylhexan-3-one
IUPAC: 2,5-dimethyl-4-pyridin-2-ylhexan-3-one

Names & synonyms

6312-15-82,5-dimethyl-4-pyridin-2-ylhexan-3-one2,5-dimethyl-4-(pyridin-2-yl)hexan-3-oneNSC426733-Hexanone,2,5-dimethyl-4-(2-pyridinyl)-DTXSID20285716NSC-42673DS-014214

Database identifiers

CAS: 6312-15-8
PubChem CID: 238342
DTXSID: DTXSID20285716

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 211

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