Summary

IMPPAT Phytochemical identifier: IMPHY016315

Phytochemical name: 3,7-Dimethylocta-2,4-dienal

Synonymous chemical names:
2,4-octadienal, 3, 7-dimethyl

External chemical identifiers:
CID:71341523

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h4,6-9H,5H2,1-3H3

InChIKey:
VVIABXRTIAZQSI-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=CCCC)C)))))C

Functional groups:
CC=CC(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: 2.502

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Chemical structure download