Structure Database (LMSD)
Common Name
6-hydroxy-4-dodecanolide
Systematic Name
6-hydroxy-4-dodecanolide
Synonyms
3D model of 6-hydroxy-4-dodecanolide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YMOFCPXBTKJSSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-2-3-4-5-6-10(13)9-11-7-8-12(14)15-11/h10-11,13H,2-9H2,1H3
SMILES (Click to copy)
C1(OC(CC(O)CCCCCC)CC1)=O
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
227.53
Topological Polar Surface Area
48.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.99
Molar Refractivity
59.52
Admin
Created at
-
Updated at
4th Apr 2022