Summary

IMPPAT Phytochemical identifier: IMPHY001808

Phytochemical name: 2-Hydroxydodecyl methacrylate

Synonymous chemical names:
2-hydroxydodecyl methacrylate, ketones

External chemical identifiers:
CID:114522, SureChEMBL:SCHEMBL2763347

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Chemical structure information

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

InChI:
InChI=1S/C16H30O3/c1-4-5-6-7-8-9-10-11-12-15(17)13-19-16(18)14(2)3/h15,17H,2,4-13H2,1,3H3

InChIKey:
RDFIICFCNKXLHC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=O)C=C)C)))))O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls, Fatty esters

NP Classifier Class: Fatty alcohols, Wax monoesters

NP-Likeness score: 1.061

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Chemical structure download