Summary

IMPPAT Phytochemical identifier: IMPHY017620

Phytochemical name: 2-Isopropenyl-5-methyl-4-oxo-hex-5-enyl acetate

Synonymous chemical names:
2-isopropenyl-5-methyl-4-oxo-hex-5-enyl acetate

External chemical identifiers:
CID:6429154

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Chemical structure information

SMILES:
CC(=O)OCC(C(=C)C)CC(=O)C(=C)C

InChI:
InChI=1S/C12H18O3/c1-8(2)11(7-15-10(5)13)6-12(14)9(3)4/h11H,1,3,6-7H2,2,4-5H3

InChIKey:
YIMBTHHLSRBHFF-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCC=C)C))CC=O)C=C)C

Functional groups:
C=C(C)C, C=C(C)C(C)=O, COC(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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.431

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Chemical structure download