Summary

IMPPAT Phytochemical identifier: IMPHY003915

Phytochemical name: 2-Decenal

Synonymous chemical names:
(e )-2-decenal, (e)-2-decenai, (e)-2-decenal, (e)-2-decenalc, (e)-dec-2-en-1-al, (e)-dec-2-enal, (e)-decenal-2, 2-decenal, 2e-decenal, 2•decen-1-at, decenal, decenal <2e->, decenal*, trans-2-decenal

External chemical identifiers:
CID:5283345, ChEMBL:CHEMBL507518, ChEBI:133455, ZINC:ZINC000001571216, FDASRS:E93S23U2BU, SureChEMBL:SCHEMBL872778, MolPort-003-929-714

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Chemical structure information

SMILES:
CCCCCCC/C=C/C=O

InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+

InChIKey:
MMFCJPPRCYDLLZ-CMDGGOBGSA-N

DeepSMILES:
CCCCCCC/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: 2.024

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Chemical structure download