Summary

IMPPAT Phytochemical identifier: IMPHY006412

Phytochemical name: (2E,4E)-2,4-Dodecadienal

Synonymous chemical names:
(e,e)-2,4-dodecadienal, 2,4-dodecadienal

External chemical identifiers:
CID:5367530, ChEBI:171898, ZINC:ZINC000002016114, FDASRS:VO340RJ9LU, SureChEMBL:SCHEMBL229806, MolPort-003-925-047

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Chemical structure information

SMILES:
CCCCCCC/C=C/C=C/C=O

InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+

InChIKey:
QKTZBZWNADPFOL-BNFZFUHLSA-N

DeepSMILES:
CCCCCCC/C=C/C=C/C=O

Functional groups:
C/C=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: 2.052

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Chemical structure download