Structure Database (LMSD)
Common Name
Rhodinyl acetate
Systematic Name
3,7-dimethyloct-7-en-1-yl acetate
Synonyms
3D model of Rhodinyl acetate
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)
WNXJCQNXNOOMDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3
SMILES (Click to copy)
CC(CCCC(C)CCOC(C)=O)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.61
Molar Refractivity
59.57
Admin
Created at
-
Updated at
6th Jun 2022