Structure Database (LMSD)
Common Name
2-hydroxy-7-methyl-Octanedioic acid
Systematic Name
2-hydroxy-7-methyl-Octanedioic acid
Synonyms
- Octanedioic acid, 2-hydroxy-, 7-methyl-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-hydroxy-7-methyl-Octanedioic 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)
KQONDWAKSAUKLO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O5/c1-6(8(11)12)4-2-3-5-7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(O)(=O)C(O)CCCCC(C)C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
202.93
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
1
Molar Refractivity
49.42
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Created at
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Updated at
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