Summary

IMPPAT Phytochemical identifier: IMPHY013055

Phytochemical name: Pentyl Undecanoate

Synonymous chemical names:
pentyl undecanoate

External chemical identifiers:
CID:11594069, SureChEMBL:SCHEMBL2396791

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)OCCCCC

InChI:
InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-15H2,1-2H3

InChIKey:
RDOSVFWJFQNBEL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O)OCCCCC

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: 0.217

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Chemical structure download