Summary

IMPPAT Phytochemical identifier: IMPHY015982

Phytochemical name: Undec-5-en-2-one

Synonymous chemical names:
undec-5-en-2-one

External chemical identifiers:
CID:6365436, ZINC:ZINC000038613944, SureChEMBL:SCHEMBL1784609

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Chemical structure information

SMILES:
CCCCC/C=C/CCC(=O)C

InChI:
InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-8H,3-6,9-10H2,1-2H3/b8-7+

InChIKey:
GAZJVINYNDPROS-BQYQJAHWSA-N

DeepSMILES:
CCCCC/C=C/CCC=O)C

Functional groups:
C/C=C/C, CC(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: Oxygenated hydrocarbons

NP-Likeness score: 1.616

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Chemical structure download