2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

C40H64O4Si8 — CID 139175151

IUPAC2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESC[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2.C[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2
InChIInChI=1S/2C20H32O2Si4/c2*1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h2*9-16H,1-8H3
InChIKeyXVHYHLAODBWQBW-UHFFFAOYSA-N
MW833.64 g/mol
LogP6.16
Rot. Bonds

About 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene

2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (PubChem CID 139175151) has the molecular formula C40H64O4Si8 and a molecular weight of 833.64 g/mol. Its IUPAC name is 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.

Molecular Properties

Compound Name2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
PubChem CID139175151
Molecular FormulaC40H64O4Si8
Molecular Weight833.64 g/mol
Exact Mass832.30
IUPAC Name2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
SMILESC[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2.C[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2
InChIInChI=1S/2C20H32O2Si4/c2*1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h2*9-16H,1-8H3
InChIKeyXVHYHLAODBWQBW-UHFFFAOYSA-N
XLogP6.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.64
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The IUPAC name of 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene (CID 139175151) is 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene.
What is the SMILES notation for 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The canonical SMILES for 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is C[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2.C[Si]1(C)O[Si](C)(C)c2ccc(cc2)[Si](C)(C)O[Si](C)(C)c2ccc1cc2.
What is the InChIKey of 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
The InChIKey is XVHYHLAODBWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32O2Si4/c2*1-23(2)17-9-11-19(12-10-17)25(5,6)22-26(7,8)20-15-13-18(14-16-20)24(3,4)21-23/h2*9-16H,1-8H3.
What are the key properties of 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene?
2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene has a molecular weight of 833.64 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,9,9,11,11-octamethyl-3,10-dioxa-2,4,9,11-tetrasilatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene is sourced from PubChem (CID 139175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).