Summary

IMPPAT Phytochemical identifier: IMPHY016254

Phytochemical name: 2-Methylnon-2-en-4-one

Synonymous chemical names:
2-methyl-2-nonen-4-one

External chemical identifiers:
CID:17942, ZINC:ZINC000031622892, SureChEMBL:SCHEMBL454224

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Chemical structure information

SMILES:
CCCCCC(=O)C=C(C)C

InChI:
InChI=1S/C10H18O/c1-4-5-6-7-10(11)8-9(2)3/h8H,4-7H2,1-3H3

InChIKey:
LVVHLEIGMGTYJL-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)C=CC)C

Functional groups:
CC(=O)C=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.503

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Chemical structure download