Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011332

Phytochemical name: Isobutylene

Synonymous chemical names:
isobutylene

External chemical identifiers:
CID:CID_8255, ChEBI:CHEBI:43907, ZINC:ZINC000059940055, FDASRS:QA2LMR467H, SureChEMBL:SCHEMBL2815, MolPort-001-783-009

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Chemical structure information

SMILES:
CC(=C)C

InChI:
InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3

InChIKey:
VQTUBCCKSQIDNK-UHFFFAOYSA-N

DeepSMILES:
CC=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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.701

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Chemical structure download