Structure Database (LMSD)

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

Classification

References

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

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

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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