Summary

IMPPAT Phytochemical identifier: IMPHY012093

Phytochemical name: Isopropyl myristate

Synonymous chemical names:
bisomel, iso -propyl myristate, isopropyl myristate, isopropyl tetradecanoate

External chemical identifiers:
CID:8042, ChEMBL:CHEMBL207602, ChEBI:90027, ZINC:ZINC000008214588, FDASRS:0RE8K4LNJS, SureChEMBL:SCHEMBL2442, MolPort-003-927-101

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OC(C)C

InChI:
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3

InChIKey:
AXISYYRBXTVTFY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)OCC)C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.016

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Chemical structure download