Structure Database (LMSD)
Common Name
10-Methyloxecan-2-one
Systematic Name
9-decanolide
Synonyms
3D model of 10-Methyloxecan-2-one
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
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
SAMJSVOFANTIOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h9H,2-8H2,1H3
SMILES (Click to copy)
O1C(C)CCCCCCCC1=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
184.14
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.95
Molar Refractivity
48.39
Admin
Created at
-
Updated at
30th Apr 2020