Structure Database (LMSD)
Common Name
Methyl 3,5-dimethyl-dodecanoate
Systematic Name
Methyl 3,5-dimethyl-dodecanoate
Synonyms
- WE(1:0/12:0(3Me,5Me))
3D model of Methyl 3,5-dimethyl-dodecanoate
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
Biological Context
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
PWVKWNHPMFZRLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-5-6-7-8-9-10-13(2)11-14(3)12-15(16)17-4/h13-14H,5-12H2,1-4H3
SMILES (Click to copy)
O=C(CC(C)CC(C)CCCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
283.00
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.57
Molar Refractivity
72.95
Admin
Created at
-
Updated at
6th Jun 2022