Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000446

Phytochemical name: Decanal

Synonymous chemical names:
Decylaldehyde, dccanal, n-decanal, decyl aldehyde, capraldehyde, decylaldehyde, n-Decanal, Decanal, decanal

External chemical identifiers:
CID:CID_8175, ChEMBL:CHEMBL2228377, ChEBI:CHEBI:31457, ZINC:ZINC000001693270, FDASRS:31Z90Q7KQJ, SureChEMBL:SCHEMBL2540, MolPort-001-769-696

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Chemical structure information

SMILES:
CCCCCCCCCC=O

InChI:
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

InChIKey:
KSMVZQYAVGTKIV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=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: 1.261

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Chemical structure download