Structure Database (LMSD)

Common Name
2-methoxydecanoic acid
Systematic Name
2-methoxy-decanoic acid
Synonyms
  • Decanoic acid, 2-methoxy
LM ID
LMFA01080021
Status
Active
Exact Mass
Calculate m/z
202.156895
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WMKSSGPYLVBYJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(14-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(C(CCCCCCCC)OC)(=O)O

References

Reference
New Advances in Fatty Acids as Antimalarial, Antimycobacterial and Antifungal Agents. N.M. Carballeira. Progress in Lipid Research. Volume 47, Issue 1, 2008 January, pp. 50–61.

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2238809/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
New advances in fatty acids as antimalarial, antimycobacterial and antifungal agents.,
Prog Lipid Res, 2008
Pubmed ID: 18023422

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 222.59
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.12
Molar Refractivity 56.94

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Updated at
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