Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017837

Phytochemical name: 2,3,4,5-Tetramethylhexa-1,4-diene

Synonymous chemical names:
1,4-hexadiene-2,3,4,5 tetramethyl

External chemical identifiers:
CID:CID_521333

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Chemical structure information

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

InChI:
InChI=1S/C10H18/c1-7(2)9(5)10(6)8(3)4/h9H,1H2,2-6H3

InChIKey:
ZPYYCZZBNXDIMQ-UHFFFAOYSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.007

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Chemical structure download