Summary

IMPPAT Phytochemical identifier: IMPHY016264

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

Synonymous chemical names:
2-methyl-oct-2-enedial

External chemical identifiers:
CID:5370208

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Chemical structure information

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

InChI:
InChI=1S/C9H14O2/c1-9(8-11)6-4-2-3-5-7-10/h6-8H,2-5H2,1H3/b9-6+

InChIKey:
IJKVSODAGYUPNR-RMKNXTFCSA-N

DeepSMILES:
O=CCCCC/C=C/C=O))C

Functional groups:
C/C=C(C)C=O, 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: 2.597

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Chemical structure download