Structure Database (LMSD)
Common Name
Dihydromalvalic acid
Systematic Name
7-(2-octylcyclopropyl)heptanoic acid
Synonyms
3D model of Dihydromalvalic 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)
FSTZKYGQVCLPSX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCC1CC1CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
322.54
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.8
Molar Refractivity
84.93
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Created at
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Updated at
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