Structure Database (LMSD)

Common Name
19-methyl-heneicosanoic acid
Systematic Name
19-methyl-heneicosanoic acid
Synonyms
LM ID
LMFA01020227
Status
Active
Exact Mass
Calculate m/z
340.33413
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)
CDGJKEUOLAMVSS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-3-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(C)CC)(=O)O

References

Other Databases

LIPIDAT ID
1680
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 404.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.75
Molar Refractivity 105.58

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Created at
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Updated at
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