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
Classification
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
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
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