Structure Database (LMSD)
Common Name
Butyl 2-decenoate
Systematic Name
butyl (2E)-dec-2-enoate
Synonyms
3D model of Butyl 2-decenoate
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)
DTCZJIDFDTTXSG-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+
SMILES (Click to copy)
CCCCCCC/C=C/C(=O)OCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.53
Molar Refractivity
68.87
Admin
Created at
-
Updated at
6th Jun 2022