Summary

IMPPAT Phytochemical identifier: IMPHY017954

Phytochemical name: 3-Methyl-3-heptenal

Synonymous chemical names:
3-methyl-3-heptenal

Chemical structure information

SMILES:
CCCC=C(CC=O)C

InChI:
InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h5,7H,3-4,6H2,1-2H3

InChIKey:
XUHXTYLHEQONJV-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCC=O)))C

Functional groups:
CC=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: 2.274

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Chemical structure download