Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018161

Phytochemical name: 2,4,4-Trimethyl-1-pentene

Synonymous chemical names:
2,4,4-Trimethyl-1-pentene

External chemical identifiers:
CID:CID_7868, ChEMBL:CHEMBL3186786, ZINC:ZINC000001648186, FDASRS:N69L73ADVF, SureChEMBL:SCHEMBL97535, Molport-001-787-090

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Chemical structure information

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

InChI:
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChIKey:
FXNDIJDIPNCZQJ-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCC)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: 0.003

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Chemical structure download