Structure Database (LMSD)
Common Name
5-oxo-7-decynoic acid
Systematic Name
5-oxo-7-decynoic acid
Synonyms
- 7-Decynoic acid, 5-oxo-
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
Main
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
References
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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