Structure Database (LMSD)

Common Name
8,9-Methylene-octadecanoic acid
Systematic Name
8,9-Methylene-octadecanoic acid
Synonyms
  • 2-Nonylcyclopropaneheptanoic acid
LM ID
LMFA01140049
Status
Active
Exact Mass
Calculate m/z
296.27153
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)
MGPDYNWGYUWLEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-2-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C1(CCCCCCC(O)=O)CC1CCCCCCCCC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 339.84
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.19
Molar Refractivity 89.54

Admin

Created at
-
Updated at
-