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
Main
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
References
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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