Summary

IMPPAT Phytochemical identifier: IMPHY016630

Phytochemical name: Dodecyl propionate

Synonymous chemical names:
dodecyl propionate

External chemical identifiers:
CID:80354, ChEBI:172094, ZINC:ZINC000059283873, FDASRS:7G537BMD9L, SureChEMBL:SCHEMBL840188, MolPort-006-117-631

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Chemical structure information

SMILES:
CCCCCCCCCCCCOC(=O)CC

InChI:
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3

InChIKey:
FVGJPCFYGPKBKJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=O)CC

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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.219

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Chemical structure download