Structure Database (LMSD)
Common Name
SFE 1:0/21:2(2Z,3Me)
Systematic Name
Methyl 3-methyl-2Z-dodecenoate
Synonyms
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
Classification
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
Other Databases
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