Summary

IMPPAT Phytochemical identifier: IMPHY016259

Phytochemical name: 2-Methyl-4-octenal

Synonymous chemical names:
2-methyl-4-octenal

External chemical identifiers:
CID:5367755

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Chemical structure information

SMILES:
CC(C=O)C/C=C/CCC

InChI:
InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+

InChIKey:
ODYUKYFFMKUDAX-AATRIKPKSA-N

DeepSMILES:
CCC=O))C/C=C/CCC

Functional groups:
C/C=C/C, CC=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: 2.342

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Chemical structure download