Summary

IMPPAT Phytochemical identifier: IMPHY016788

Phytochemical name: Octyl acrylate

Synonymous chemical names:
octyl acrylate

External chemical identifiers:
CID:17258, ZINC:ZINC000001680750, FDASRS:EJN94319DN, SureChEMBL:SCHEMBL14904, MolPort-000-005-697

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Chemical structure information

SMILES:
CCCCCCCCOC(=O)C=C

InChI:
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3

InChIKey:
ANISOHQJBAQUQP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC=O)C=C

Functional groups:
C=CC(=O)OC

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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: 0.544

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Chemical structure download