2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane

C33H38O2Si2 — CID 15744025

IUPAC2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane
SMILESCc1ccc([Si]2(c3ccc(C)cc3C)O[Si](c3ccc(C)cc3C)(c3c(C)cc(C)cc3C)O2)c(C)c1
InChIInChI=1S/C33H38O2Si2/c1-21-10-13-30(25(5)16-21)36(31-14-11-22(2)17-26(31)6)34-37(35-36,32-15-12-23(3)18-27(32)7)33-28(8)19-24(4)20-29(33)9/h10-20H,1-9H3
InChIKeyRXEWMRRGPWPEDA-UHFFFAOYSA-N
MW522.84 g/mol
LogP5.32
Rot. Bonds4

About 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane

2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane (PubChem CID 15744025) has the molecular formula C33H38O2Si2 and a molecular weight of 522.84 g/mol. Its IUPAC name is 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane.

Molecular Properties

Compound Name2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane
PubChem CID15744025
Molecular FormulaC33H38O2Si2
Molecular Weight522.84 g/mol
Exact Mass522.24
IUPAC Name2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane
SMILESCc1ccc([Si]2(c3ccc(C)cc3C)O[Si](c3ccc(C)cc3C)(c3c(C)cc(C)cc3C)O2)c(C)c1
InChIInChI=1S/C33H38O2Si2/c1-21-10-13-30(25(5)16-21)36(31-14-11-22(2)17-26(31)6)34-37(35-36,32-15-12-23(3)18-27(32)7)33-28(8)19-24(4)20-29(33)9/h10-20H,1-9H3
InChIKeyRXEWMRRGPWPEDA-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.84
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane?
The IUPAC name of 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane (CID 15744025) is 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane.
What is the SMILES notation for 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane?
The canonical SMILES for 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane is Cc1ccc([Si]2(c3ccc(C)cc3C)O[Si](c3ccc(C)cc3C)(c3c(C)cc(C)cc3C)O2)c(C)c1.
What is the InChIKey of 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane?
The InChIKey is RXEWMRRGPWPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O2Si2/c1-21-10-13-30(25(5)16-21)36(31-14-11-22(2)17-26(31)6)34-37(35-36,32-15-12-23(3)18-27(32)7)33-28(8)19-24(4)20-29(33)9/h10-20H,1-9H3.
What are the key properties of 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane?
2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane has a molecular weight of 522.84 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-tris(2,4-dimethylphenyl)-4-(2,4,6-trimethylphenyl)-1,3,2,4-dioxadisiletane is sourced from PubChem (CID 15744025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).