Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018054

Phytochemical name: 2-Isopropenyl-5-methylhex-4-enal

Synonymous chemical names:
2-Isopropenyl-5-methylhex-4-enal

External chemical identifiers:
CID:CID_110898

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7,10H,3,6H2,1-2,4H3

InChIKey:
PAIVGFRXYIGODL-UHFFFAOYSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.481

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Chemical structure download