Structure Database (LMSD)

Common Name
methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
Systematic Name
methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate
Synonyms
LM ID
LMFA01070035
Status
Active
Exact Mass
Calculate m/z
248.068475
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)
BNQDPVXVNJANSG-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C13H12O5/c1-10(14)17-9-12-11(18-12)7-5-3-4-6-8-13(15)16-2/h6,8,11-12H,9H2,1-2H3/b8-6-
SMILES (Click to copy)
C(=C/C#CC#CC1OC1COC(C)=O)/C(=O)OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ericameria nauseosa (#71039)
Magnoliopsida (#3398)
Epoxy acetylenic lipids: their analogues and derivatives.,
Prog Lipid Res, 2014
Pubmed ID: 25193612

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 246.57
Topological Polar Surface Area 65.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.91
Molar Refractivity 63.52

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Created at
-
Updated at
6th Jun 2022