Structure Database (LMSD)

Common Name
19-methyl-eicosanoic acid
Systematic Name
19-methyl-eicosanoic acid
Synonyms
LM ID
LMFA01020223
Status
Active
Exact Mass
Calculate m/z
326.31848
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)
BDGYZTCVQAZQFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(C)C)(=O)O

References

Other Databases

LIPIDAT ID
8308
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.36
Molar Refractivity 100.96

Admin

Created at
-
Updated at
-