Structure Database (LMSD)
Common Name
Mueggelone
Systematic Name
12,13-epoxy-10E,15Z-octadecadien-9-olide
Synonyms
- 12,13-epoxyoctadeca-10E,15Z-dienyl-kappa-decanolactone
Main
Classification
String Representations
InChiKey (Click to copy)
NQKZDMRQSOUOJH-MKZMYESJSA-N
InChi (Click to copy)
InChI=1S/C18H28O3/c1-2-3-7-11-16-17(21-16)14-13-15-10-8-5-4-6-9-12-18(19)20-15/h3,7,13-17H,2,4-6,8-12H2,1H3/b7-3-,14-13+
SMILES (Click to copy)
C1CCCC(=O)OC(/C=C/C2OC2C/C=C\CC)CCC1
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
2
Aromatic Rings
Rotatable Bonds
5
Van der Waals Molecular Volume
313.69
Topological Polar Surface Area
40.90
Hydrogen Bond Donors
Hydrogen Bond Acceptors
3
logP
5.18
Molar Refractivity
85.58
Admin
Created at
28th Oct 2021
Updated at
28th Oct 2021