Summary

IMPPAT Phytochemical identifier: IMPHY012073

Phytochemical name: Isobutyl methacrylate

Synonymous chemical names:
isobutyl methacrylate

External chemical identifiers:
CID:7352, ChEMBL:CHEMBL1453087, ZINC:ZINC000000586534, FDASRS:V11534UYZ0, SureChEMBL:SCHEMBL24562, MolPort-002-507-231

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Chemical structure information

SMILES:
CC(COC(=O)C(=C)C)C

InChI:
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3

InChIKey:
RUMACXVDVNRZJZ-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)C=C)C)))))C

Functional groups:
C=C(C)C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.464

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Chemical structure download