Structure Database (LMSD)

Common Name
alpha,alpha'-diethyl-4,4'-bis(2-propynyloxy)stilbene
Systematic Name
Synonyms
LM ID
LMPK13090025
Status
Active
Exact Mass
Calculate m/z
344.17763
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LCTYVHULSYWGNJ-WCWDXBQESA-N
InChi (Click to copy)
InChI=1S/C24H24O2/c1-5-17-25-21-13-9-19(10-14-21)23(7-3)24(8-4)20-11-15-22(16-12-20)26-18-6-2/h1-2,9-16H,7-8,17-18H2,3-4H3/b24-23+
SMILES (Click to copy)
C1(OCC#C)=CC=C(/C(/CC)=C(\CC)/C2=CC=C(OCC#C)C=C2)C=C1

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 365.78
Topological Polar Surface Area 18.46
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.01
Molar Refractivity 109.92

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Created at
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Updated at
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