Summary

IMPPAT Phytochemical identifier: IMPHY016073

Phytochemical name: (E)-2-Methyl-2-butenyl methacrylate

Synonymous chemical names:
(e)-2-methyl-2-butenyl methacrylate

External chemical identifiers:
CID:88242027, SureChEMBL:SCHEMBL8046596

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Chemical structure information

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

InChI:
InChI=1S/C9H14O2/c1-5-8(4)6-11-9(10)7(2)3/h5H,2,6H2,1,3-4H3/b8-5+

InChIKey:
ZHJOZVKIWDMOFL-VMPITWQZSA-N

DeepSMILES:
C/C=C/COC=O)C=C)C)))))C

Functional groups:
C/C=C(/C)C, 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, Terpenoids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.313

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Chemical structure download