Structure Database (LMSD)
Common Name
methyl 8S,9R-epoxy-2Z-decen-4,6-diynoate
Systematic Name
methyl 8S,9R-epoxy-2Z-decen-4,6-diynoate
Synonyms
- 7-(3-methyl-oxiranyl)-2-heptene-4,6-diynoic acid
3D model of methyl 8S,9R-epoxy-2Z-decen-4,6-diynoate
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)
PCDNXYJKUQSRGB-VCNAMUQVSA-N
InChi (Click to copy)
InChI=1S/C11H10O3/c1-9-10(14-9)7-5-3-4-6-8-11(12)13-2/h6,8-10H,1-2H3/b8-6-/t9-,10+/m1/s1
SMILES (Click to copy)
C(=C/C#CC#C[C@H]1[C@@H](C)O1)/C(=O)OC
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
197.03
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
1.08
Molar Refractivity
52.07
Admin
Created at
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Updated at
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