Structure Database (LMSD)

Common Name
6,6-dimethoxy-octanoic acid
Systematic Name
6,6-dimethoxy-octanoic acid
Synonyms
  • Octanoic acid, 6,6-dimethoxy-
LM ID
LMFA01080018
Status
Active
Exact Mass
Calculate m/z
204.13616
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)
WZGDVNUKZWUYBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O4/c1-4-10(13-2,14-3)8-6-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
SMILES (Click to copy)
C(CCCCC(OC)(OC)CC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 214.08
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.32
Molar Refractivity 53.66

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Created at
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Updated at
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