Structure Database (LMSD)

Common Name
8,10-dimethoxy-octadecanoic acid
Systematic Name
8,10-dimethoxy-octadecanoic acid
Synonyms
  • Octadecanoic acid, 8,10-dimethoxy-
LM ID
LMFA01080017
Status
Active
Exact Mass
Calculate m/z
344.29266
Formula
Abbrev


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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)
RGPGJWBMNOHCDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCC(OC)CC(OC)CCCCCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 387.08
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.16
Molar Refractivity 100.57

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Created at
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Updated at
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