Summary

IMPPAT Phytochemical identifier: IMPHY016974

Phytochemical name: (E)-2-Methyl-2-nonenal

Synonymous chemical names:
(e)-2-methyl-2-nonenal

External chemical identifiers:
CID:10997259, ZINC:ZINC000117106023, SureChEMBL:SCHEMBL1785245

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-3-4-5-6-7-8-10(2)9-11/h8-9H,3-7H2,1-2H3/b10-8+

InChIKey:
LLKFVNRSHSPYML-CSKARUKUSA-N

DeepSMILES:
CCCCCC/C=C/C=O))C

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

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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: Fatty aldehydes

NP-Likeness score: 2.256

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Chemical structure download