Structure Database (LMSD)

Common Name
Isolauric acid
Systematic Name
10-methyl-undecanoic acid
Synonyms
  • 10-methyl-hendecanoic acid
  • Isododecanoic acid
LM ID
LMFA01020004
Status
Active
Exact Mass
Calculate m/z
200.17763
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)
QJRRBVNPIKYRQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
SMILES (Click to copy)
C(C)(C)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 231.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.85
Molar Refractivity 59.41

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Created at
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Updated at
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