2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C28H32O4Si4 — CID 519339

IUPAC2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C28H32O4Si4/c1-33(2)29-34(3,4)31-36(27-21-13-7-14-22-27,28-23-15-8-16-24-28)32-35(30-33,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24H,1-4H3
InChIKeySOPXVWFVFREYPL-UHFFFAOYSA-N
MW544.90 g/mol
LogP3.98
Rot. Bonds4

About 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 519339) has the molecular formula C28H32O4Si4 and a molecular weight of 544.90 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID519339
Molecular FormulaC28H32O4Si4
Molecular Weight544.90 g/mol
Exact Mass544.14
IUPAC Name2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C28H32O4Si4/c1-33(2)29-34(3,4)31-36(27-21-13-7-14-22-27,28-23-15-8-16-24-28)32-35(30-33,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24H,1-4H3
InChIKeySOPXVWFVFREYPL-UHFFFAOYSA-N
XLogP3.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.90
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 519339) is 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is SOPXVWFVFREYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4Si4/c1-33(2)29-34(3,4)31-36(27-21-13-7-14-22-27,28-23-15-8-16-24-28)32-35(30-33,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24H,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 544.90 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-6,6,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 519339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).