Summary

IMPPAT Phytochemical identifier: IMPHY016382

Phytochemical name: 3-Methylpentyl 2-methylprop-2-enoate

Synonymous chemical names:
3-methylamyl methacrylate

External chemical identifiers:
CID:18361659, SureChEMBL:SCHEMBL1903309

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3

InChIKey:
QKMOBSUDXQCKPG-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=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: 1.009

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Chemical structure download