Summary

IMPPAT Phytochemical identifier: IMPHY017786

Phytochemical name: 2-Undecanol, acetate

Synonymous chemical names:
2-undecanyl acetate

External chemical identifiers:
CID:85789, FDASRS:2W9934TR9G, SureChEMBL:SCHEMBL316946

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Chemical structure information

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

InChI:
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)15-13(3)14/h12H,4-11H2,1-3H3

InChIKey:
HABRKYMFOVMIBP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCOC=O)C)))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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.955

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Chemical structure download