Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006657

Phytochemical name: Dodecyl acrylate

Synonymous chemical names:
Lauryl acrylate, dodecyl acrylate, Dodecyl acrylate, Lauryl acrylate or dodecyl acrylate

External chemical identifiers:
CID:CID_75084, ZINC:ZINC000059076597, FDASRS:90IK36WGVR, SureChEMBL:SCHEMBL14939, MolPort-000-005-604

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Chemical structure information

SMILES:
CCCCCCCCCCCCOC(=O)C=C

InChI:
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3

InChIKey:
PBOSTUDLECTMNL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=O)C=C

Functional groups:
C=CC(=O)OC

Link to spectral information:
MSBNK-Athens_Univ-AU502201, MSBNK-Athens_Univ-AU502202, MSBNK-Athens_Univ-AU502204, MSBNK-Athens_Univ-AU502205, MSBNK-Athens_Univ-AU502206, MSBNK-Athens_Univ-AU502207, MSBNK-Athens_Univ-AU502208, MSBNK-Athens_Univ-AU502209, MSBNK-Athens_Univ-AU502210

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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 esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.416

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Chemical structure download