Structure Database (LMSD)

Common Name
2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride
Systematic Name
2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride
Synonyms
  • Acetylenic acids
LM ID
LMFA00000001
Status
Active
Exact Mass
Calculate m/z
626.491025
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)
VOGBKCAANIAXCI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H66O5/c1-7-9-11-23-29-35(3)31-25-19-15-13-17-21-27-33-37(43-5)39(41)45-40(42)38(44-6)34-28-22-18-14-16-20-26-32-36(4)30-24-12-10-8-2/h7-8,35-38H,1-2,9-16,19-20,23-34H2,3-6H3
SMILES (Click to copy)
C(C(OC)CCC#CCCCCCC(C)CCCCC=C)(=O)OC(C(OC)CCC#CCCCCCC(C)CCCCC=C)=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 723.39
Topological Polar Surface Area 61.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 10.89
Molar Refractivity 189.56

Admin

Created at
-
Updated at
-