Structure Database (LMSD)
Common Name
cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
Systematic Name
ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
Synonyms
LM ID
LMFA07010803
Formula
Exact Mass
Calculate m/z
188.10486
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-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)
GSIXJEIRJVOUFB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3
SMILES (Click to copy)
O=C(CC1(C)OC(C)CO1)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
184.42
Topological Polar Surface Area
48.90
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
2.23
Molar Refractivity
48.16
Admin
Created at
-
Updated at
6th Jun 2022