Structure Database (LMSD)
Common Name
3,7-dimethyl-2-octenoic acid
Systematic Name
3,7-dimethyl-2-octenoic acid
Synonyms
3D model of 3,7-dimethyl-2-octenoic 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)
BQQFWOQXMICUGN-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+
SMILES (Click to copy)
C(C(C)C)CC/C(/C)=C/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.84
Molar Refractivity
50.08
Admin
Created at
-
Updated at
-