Summary

IMPPAT Phytochemical identifier: IMPHY005549

Phytochemical name: 2-Octenal

Synonymous chemical names:
( e )-oct-2-enal, (e)-2-octenai, (e)-2-octenal, (e)-oct-2-enal, 2-octenal*, e-2-octenal, trans-2-octenal

External chemical identifiers:
CID:5283324, ChEMBL:CHEMBL448058, ChEBI:61748, ZINC:ZINC000002013450, FDASRS:55N91D7775, SureChEMBL:SCHEMBL159708, MolPort-001-792-107

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Chemical structure information

SMILES:
CCCCC/C=C/C=O

InChI:
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+

InChIKey:
LVBXEMGDVWVTGY-VOTSOKGWSA-N

DeepSMILES:
CCCCC/C=C/C=O

Functional groups:
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: 2.355

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Chemical structure download