Structure Database (LMSD)
Common Name
3-Methylbutyl nonanoate
Systematic Name
3-methylbutyl nonanoate
Synonyms
- WE(4:0(3Me)/9:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-Methylbutyl nonanoate
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)
SHGMLOSSRPFLKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
SMILES (Click to copy)
C(CCCCCCCC)(=O)OCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
265.70
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.61
Molar Refractivity
68.90
Admin
Created at
-
Updated at
14th Jun 2023