Structure Database (LMSD)
Common Name
2,9-heptadecadien-4,6-diyn-1,8-diol
Systematic Name
2,9-heptadecadien-4,6-diyn-1,8-diol
Synonyms
- heptadeca-2,9-dien-4,6-diyn-1,8-diol
LM ID
LMFA05000022
Formula
Exact Mass
Calculate m/z
260.17763
Sum Composition
Status
Active
3D model of 2,9-heptadecadien-4,6-diyn-1,8-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
UECWLXACMXYTFN-IFQMDVHZSA-N
InChi (Click to copy)
InChI=1S/C17H24O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h10-11,13-14,17-19H,2-6,8,16H2,1H3/b13-10+,14-11+
SMILES (Click to copy)
C(/C#CC#CC(O)/C=C/CCCCCCC)=C\CO
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
304.40
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.39
Molar Refractivity
81.30
Admin
Created at
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Updated at
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