Summary

IMPPAT Phytochemical identifier: IMPHY007204

Phytochemical name: Dodecanal

Synonymous chemical names:
dodecanal, dodecanalb, dodecanaldehyde, dodecanolb, lauraldehyde

External chemical identifiers:
CID:8194, ChEMBL:CHEMBL2228373, ChEBI:27836, ZINC:ZINC000001529404, FDASRS:C42O120SEF, SureChEMBL:SCHEMBL75196, MolPort-001-784-297

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Chemical structure information

SMILES:
CCCCCCCCCCCC=O

InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

InChIKey:
HFJRKMMYBMWEAD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O

Functional groups:
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: 1.067

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Chemical structure download