Structure Database (LMSD)
Common Name
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
Systematic Name
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
Synonyms
3D model of 12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WLZAQMWDLSAMIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H20O3/c1-10-11(2)13-7-8-14(15)16-9-5-3-4-6-12(10)17-13/h3-9H2,1-2H3
SMILES (Click to copy)
C12OC(=C(C)C=1C)CCCCCOC(=O)CC2
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
2
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
233.59
Topological Polar Surface Area
41.51
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
3.38
Molar Refractivity
65.51
Admin
Created at
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Updated at
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