Summary

IMPPAT Phytochemical identifier: IMPHY012312

Phytochemical name: 2-Methylbutyl methacrylate

Synonymous chemical names:
2-methylbutyl methacrylate

External chemical identifiers:
CID:108480, SureChEMBL:SCHEMBL442258

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Chemical structure information

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

InChI:
InChI=1S/C9H16O2/c1-5-8(4)6-11-9(10)7(2)3/h8H,2,5-6H2,1,3-4H3

InChIKey:
SESQOVINGFJWQN-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: 0.881

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Chemical structure download