Summary

IMPPAT Phytochemical identifier: IMPHY014081

Phytochemical name: trans-4-Decen-1-al

Synonymous chemical names:
(e)-4-decenal

External chemical identifiers:
CID:5702654, ZINC:ZINC000001850575, FDASRS:KZ74B5801J, SureChEMBL:SCHEMBL1626853, MolPort-001-769-700

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Chemical structure information

SMILES:
CCCCC/C=C/CCC=O

InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6+

InChIKey:
CWRKZMLUDFBPAO-VOTSOKGWSA-N

DeepSMILES:
CCCCC/C=C/CCC=O

Functional groups:
C/C=C/C, 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: 1.825

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Chemical structure download