Structure Database (LMSD)

O O
Common Name
alpha,alpha'-diethyl-4,4'-bis(2-propynyloxy)stilbene
Systematic Name
Synonyms
LM ID
LMPK13090025
Formula
C24H24O2
Exact Mass
Calculate m/z
344.17763
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

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
C15066
CHEBI ID
79586
PubChem CID
5945639

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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Updated at
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