Structure Database (LMSD)
Common Name
(Z)-octadeca-9,17-dien-12,14-diyne-1,16-diol
Systematic Name
Octadeca-9Z,17-dien-12,14-diyne-1,16-diol
Synonyms
3D model of (Z)-octadeca-9,17-dien-12,14-diyne-1,16-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ODKNULFBMLGPHW-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,18-20H,1,3,5,7-9,11,13,15,17H2/b6-4-
SMILES (Click to copy)
C(#CC#CC/C=C\CCCCCCCCO)C(O)C=C
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
10
Van der Waals Molecular Volume
321.70
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.78
Molar Refractivity
85.92
Admin
Created at
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Updated at
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