Summary

IMPPAT Phytochemical identifier: IMPHY017345

Phytochemical name: 2,3,3-Trimethyl-1-hexene

Synonymous chemical names:
2,3,3-trimethyl-1-hexene

External chemical identifiers:
CID:530395, SureChEMBL:SCHEMBL789061

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Chemical structure information

SMILES:
CCCC(C(=C)C)(C)C

InChI:
InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h2,6-7H2,1,3-5H3

InChIKey:
FJJUXGUOHOVYPK-UHFFFAOYSA-N

DeepSMILES:
CCCCC=C)C))C)C

Functional groups:
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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.097

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Chemical structure download