Structure Database (LMSD)

Common Name
Isotridecanoic acid
Systematic Name
11-methyl-dodecanoic acid
Synonyms
  • 11-methyllauric acid
  • Isoundecylic acid
LM ID
LMFA01020006
Status
Active
Exact Mass
Calculate m/z
214.19328
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)
SIOLDWZBFABPJU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(C(C)C)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 64.03

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Created at
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Updated at
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