Summary

IMPPAT Phytochemical identifier: IMPHY015370

Phytochemical name: Dodec-4-enal

Synonymous chemical names:
4-dodecenal

External chemical identifiers:
CID:121780, SureChEMBL:SCHEMBL229646

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Chemical structure information

SMILES:
CCCCCCCC=CCCC=O

InChI:
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3

InChIKey:
MMCDSVCBSAMNPL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=CCCC=O

Functional groups:
CC=CC, 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: 1.626

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Chemical structure download