Structure Database (LMSD)
Common Name
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
Systematic Name
(2E,8Z)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbutanoate
Synonyms
- WE 10:4(2E,4Y,6Y,8Z)/4:0(3Me)
- WE(10:4(2E,4Y,6Y,8Z)/4:0(3Me))
3D model of (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
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)
FPIBENZMUTVCEK-JWPKELMXSA-N
InChi (Click to copy)
InChI=1S/C15H18O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,14H,12-13H2,1-3H3/b5-4-,11-10+
SMILES (Click to copy)
C(OC(=O)CC(C)C)/C=C/C#CC#C/C=C\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
267.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.00
Molar Refractivity
70.41
Admin
Created at
-
Updated at
7th Jul 2023