Structure Database (LMSD)

Common Name
9,9-dimethoxy-nonanoic acid
Systematic Name
9,9-dimethoxy-nonanoic acid
Synonyms
  • Nonanoic acid, 9,9-dimethoxy-
LM ID
LMFA01080019
Status
Active
Exact Mass
Calculate m/z
218.15181
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)
XDIISQHQFQMEIB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCCC(OC)OC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 231.38
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.71
Molar Refractivity 58.27

Admin

Created at
-
Updated at
-