Structure Database (LMSD)
Common Name
Rhodinyl propionate
Systematic Name
3,7-dimethyloct-7-en-1-yl propanoate
Synonyms
3D model of Rhodinyl propionate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
HIOFEMJTKIEZFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3
SMILES (Click to copy)
CC(CCCC(C)CCOC(=O)CC)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
245.76
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.00
Molar Refractivity
64.19
Admin
Created at
-
Updated at
6th Jun 2022