Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014332

Phytochemical name: 2-Ethylhexyl acrylate

Synonymous chemical names:
2-ethylhexyl acrylate

External chemical identifiers:
CID:CID_7636, ChEMBL:CHEMBL1574328, ChEBI:CHEBI:82465, FDASRS:HR49R9S6XG, SureChEMBL:SCHEMBL14869, MolPort-001-792-166

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Chemical structure information

SMILES:
CCCCC(COC(=O)C=C)CC

InChI:
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3

InChIKey:
GOXQRTZXKQZDDN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCOC=O)C=C)))))CC

Functional groups:
C=CC(=O)OC

Link to spectral information:
MSBNK-Athens_Univ-AU505204, MSBNK-Athens_Univ-AU505201

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Acrylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.931

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Chemical structure download