Structure Database (LMSD)
Common Name
SFE 1:0/21:2(2Z,3Me)
Systematic Name
Methyl 3-methyl-2Z-dodecenoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of SFE 1:0/21:2(2Z,3Me)
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)
JZLCLHMKXWJMOR-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-13(2)12-14(15)16-3/h12H,4-11H2,1-3H3/b13-12-
SMILES (Click to copy)
C(/C=C(/C)\CCCCCCCCC)(=O)OC
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.25
Molar Refractivity
68.38
Admin
Created at
-
Updated at
7th Jul 2023