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
Main
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
References
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
Admin
Created at
-
Updated at
-