Summary

IMPPAT Phytochemical identifier: IMPHY016695

Phytochemical name: Isopentyl methacrylate

Synonymous chemical names:
isoamyl methacrylate

External chemical identifiers:
CID:81788, ZINC:ZINC000001665017, SureChEMBL:SCHEMBL41669

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Chemical structure information

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

InChI:
InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h7H,3,5-6H2,1-2,4H3

InChIKey:
ULYIFEQRRINMJQ-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=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: 0.566

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Chemical structure download