Structure Database (LMSD)
Common Name
9,10-Epoxy-12-octadecynoic acid
Systematic Name
9,10-Epoxy-octadec-12-ynoic acid
Synonyms
- 3-(2-Octynyl)-oxiraneoctanoic acid
3D model of 9,10-Epoxy-12-octadecynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WBLXRDBPMRYRBK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC1OC1CC#CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
326.05
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.12
Molar Refractivity
86.17
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Created at
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Updated at
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