Summary

IMPPAT Phytochemical identifier: IMPHY009621

Phytochemical name: 2,3,3-Trimethyl-1,4-pentadiene

Synonymous chemical names:
2-3-3-trimethyl-penta-1-4-diene

External chemical identifiers:
CID:136569, ZINC:ZINC000001597071

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Chemical structure information

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

InChI:
InChI=1S/C8H14/c1-6-8(4,5)7(2)3/h6H,1-2H2,3-5H3

InChIKey:
OXYDHUPSYIQGAP-UHFFFAOYSA-N

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

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

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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: Irregular monoterpenoids

NP-Likeness score: 1.418

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Chemical structure download