Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015389

Phytochemical name: (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one

Synonymous chemical names:
(e)-9-isopropyl-6-methyl-5,9-decadiene-2-one, (E)-9-isopropyl-6-methyl-5,9-decadiene-2-one

External chemical identifiers:
CID:CID_5318635, ChEBI:CHEBI:171807

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Chemical structure information

SMILES:
CC(=O)CC/C=C(/CCC(=C)C(C)C)\C

InChI:
InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+

InChIKey:
GVHYGHSXSIDTDI-KPKJPENVSA-N

DeepSMILES:
CC=O)CC/C=C/CCC=C)CC)C)))))\C

Functional groups:
CC(C)=O, C/C=C(/C)C, C=C(C)C

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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: 2.52

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Chemical structure download