Structure Database (LMSD)
Common Name
N-(2E-dodecenoyl)-homoserine lactone
Systematic Name
N-(2E-dodecenoyl)-homoserine lactone
Synonyms
- C12:1-HSL
3D model of N-(2E-dodecenoyl)-homoserine lactone
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
References
String Representations
InChiKey (Click to copy)
JSKFFGMODSNXFS-VNDWYCCKSA-N
InChi (Click to copy)
InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)/b11-10+/t14-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)/C=C/CCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
302.45
Topological Polar Surface Area
57.47
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
3.69
Molar Refractivity
80.26
Admin
Created at
21st Nov 2020
Updated at
21st Nov 2020