Structure Database (LMSD)

Common Name
SFE 1:0/10:0
Systematic Name
Methyl decanoate
Synonyms
  • WE(1:0/10:0)
LM ID
LMFA07010454
Formula
Exact Mass
Calculate m/z
186.16198
Sum Composition
Status
Curated

Classification

Biological Context

Decanoic acid methyl ester is an ester form of decanoic acid . It has been studied as a single component biodiesel surrogate.1

This information has been provided by Cayman Chemical

References

1. Wang, W., and Oehlschlaeger, M.A. A shock tube study of methyl decanoate autoignition at elevated pressures. Combust. Flame 159(2), 476-481 (2013).

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Linaeidea aenea (#153779)
Insecta (#50557)
Composition of the labial gland secretion of the bumblebee males Bombus pomorum.,
Z Naturforsch C J Biosci, 2001
Pubmed ID: 11421461

String Representations

InChiKey (Click to copy)
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OC

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.30
Molar Refractivity 54.63

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Created at
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Updated at
28th May 2025