Structure Database (LMSD)

Common Name
5R-methyl-decanoic acid
Systematic Name
5R-methyl-decanoic acid
Synonyms
  • Decanoic acid, 5-methyl-, (R)-
LM ID
LMFA01020261
Status
Active
Exact Mass
Calculate m/z
186.16198
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)
BDUUYZWYAVGTOK-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-7-10(2)8-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
SMILES (Click to copy)
C(CCC[C@H](C)CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
5122
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.46
Molar Refractivity 54.79

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Created at
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Updated at
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