Summary

IMPPAT Phytochemical identifier: IMPHY004426

Phytochemical name: 2-Dodecenal

Synonymous chemical names:
2-dodecanal, 2-dodecen-1-al, 2-dodecenal, 2-dodecenal*, 2e-dodecanal, 2e-dodecenal*, trans-2-dodecenal, trans-dodec-2-en- 1-al

External chemical identifiers:
CID:5283361, ChEMBL:CHEMBL2228452, ChEBI:133741, ZINC:ZINC000001589935, FDASRS:1D55O81P4E, SureChEMBL:SCHEMBL29549

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Chemical structure information

SMILES:
CCCCCCCCC/C=C/C=O

InChI:
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+

InChIKey:
SSNZFFBDIMUILS-ZHACJKMWSA-N

DeepSMILES:
CCCCCCCCC/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: 1.712

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Chemical structure download