Structure Database (LMSD)
Common Name
N-(3-oxododecanoyl) homoserine lactone
Systematic Name
N-(3-oxododecanoyl) homoserine lactone
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PHSRRHGYXQCRPU-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
SMILES (Click to copy)
N([C@H]1CCOC1=O)C(CC(=O)CCCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
311.24
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.09
Molar Refractivity
80.74
Admin
Created at
-
Updated at
17th Nov 2020