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
C11H22O4
Abbrev
FA 11:0;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]

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

CHEBI ID
187033
PubChem CID
11020360
PlantFA ID
10766

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

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Updated at
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