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

Classification

Category
Main Class
Sub Class

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

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Created at
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Updated at
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