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
LM ID
LMFA07040039
Status
Active
Exact Mass
Calculate m/z
236.141245
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)
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

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

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

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Created at
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Updated at
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