OCTAPHENYLTETRASILOXANE-1,7-DIOL

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key ODCVZHDUAQFKHJ-UHFFFAOYSA-N
Smiles O[Si](O[Si](O[Si](O[Si](O)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1;O[Si](O[Si](O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C48H42O5Si4/c49-54(41-25-9-1-10-26-41,42-27-11-2-12-28-42)51-56(45-33-17-5-18-34-45,46-35-19-6-20-36-46)53-57(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50,43-29-13-3-14-30-43)44-31-15-4-16-32-44/h1-40,49-50H

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H42O5Si4
Molecular Weight 810.21
AlogP 4.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 68.15
Heavy Atoms 57.0

Cross References

Resources Reference
CAS NUMBER 18840-65-8
NORMAN SUSDAT
CONTENTS