Mrv1572004191603372D          

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M  END
> <DATABASE_ID>
CHEM012746

> <DATABASE_NAME>
chemdb

> <SMILES>
O1[Si](O[Si](O[Si](O[Si]1(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

> <INCHI_IDENTIFIER>
InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H

> <INCHI_KEY>
VSIKJPJINIDELZ-UHFFFAOYSA-N

> <FORMULA>
C48H40O4Si4

> <MOLECULAR_WEIGHT>
793.184

> <EXACT_MASS>
792.200365908

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
81.38708746266842

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

> <ALOGPS_LOGP>
10.00

> <JCHEM_LOGP>
15.7704

> <ALOGPS_LOGS>
-7.95

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.549422473633108

> <JCHEM_POLAR_SURFACE_AREA>
36.92

> <JCHEM_REFRACTIVITY>
209.19519999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.99e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octaphenyl tetracyclosiloxane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Octaphenyl tetracyclosiloxane

> <CAS>
546-56-5

> <SYNONYMS>
octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

$$$$