Structure Database (LMSD)
Common Name
(4E,10E,12E)-nonadec-4,10,12-trien-6,8-diyn-2-one
Systematic Name
Nonadec-4E,10E,12E-trien-6,8-diyn-2-one
Synonyms
3D model of (4E,10E,12E)-nonadec-4,10,12-trien-6,8-diyn-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
UAWPWLCVYGIHJZ-LXIBMNCBSA-N
InChi (Click to copy)
InChI=1S/C19H24O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+
SMILES (Click to copy)
C(#CC#C/C=C/C=C/CCCCCC)/C=C/CC(C)=O
References
Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
324.93
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.61
Molar Refractivity
87.03
Admin
Created at
-
Updated at
2nd Jul 2024