Structure Database (LMSD)
Common Name
5-oxo-7-decynoic acid
Systematic Name
5-oxo-7-decynoic acid
Synonyms
- 7-Decynoic acid, 5-oxo-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-oxo-7-decynoic 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)
JYHUNGZMKMRIAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2,5-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCC(=O)CC#CCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
197.37
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.61
Molar Refractivity
49.18
Admin
Created at
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Updated at
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