Structure Database (LMSD)

Common Name
Isononadecanoic acid
Systematic Name
17-methyl-octadecanoic acid
Synonyms
LM ID
LMFA01020096
Status
Active
Exact Mass
Calculate m/z
298.28718
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)
YETXGSGCWODRAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(C)C)CCCCCCCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.58
Molar Refractivity 91.73

Admin

Created at
-
Updated at
-