Structure Database (LMSD)
Common Name
Ethyl 3-hydroxyoctanoate
Systematic Name
ethyl 3-hydroxyoctanoate
Synonyms
LM ID
LMFA05000657
Formula
Exact Mass
Calculate m/z
188.141245
Sum Composition
Status
Active
3D model of Ethyl 3-hydroxyoctanoate
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)
VGWUJHSTGYCXQQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
SMILES (Click to copy)
C(CC(O)CCCCC)(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
205.29
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.45
Molar Refractivity
52.40
Admin
Created at
-
Updated at
6th Jun 2022