Structure Database (LMSD)
Common Name
Rhodinyl isobutyrate
Systematic Name
3,7-dimethyloct-7-en-1-yl 2-methylpropanoate
Synonyms
- SFE 8:1(7)(3Me,7Me)/3:0(2Me)
- SFE(8:1(7)(3Me,7Me)/3:0(2Me))
3D model of Rhodinyl isobutyrate
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)
KHCGLDOOFYZQKU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3
SMILES (Click to copy)
CC(CCCC(C)CCOC(C(C)C)=O)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.24
Molar Refractivity
68.73
Admin
Created at
-
Updated at
11th Jul 2023