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
Chemical structure information
SMILES:
CCCCCCCCC/C=C/C=OInChI:
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-NDeepSMILES:
CCCCCCCCC/C=C/C=OFunctional groups:
C/C=C/C=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire 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
Chemical structure download