Structure Database (LMSD)
Common Name
Isobutyl 10-undecenoate
Systematic Name
2-methylpropyl undec-10-enoate
Synonyms
- SFE 3:0(2Me)/10:1(9)
- SFE(3:0(2Me)/10:1(9))
No other lipid differing only in stereochemistry/bond geometry found
3D model of Isobutyl 10-undecenoate
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)
YXJSBTYPYXKWDB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3
SMILES (Click to copy)
O=C(CCCCCCCCC=C)OCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
280.36
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.78
Molar Refractivity
73.42
Admin
Created at
-
Updated at
11th Jul 2023