4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium

C28H46O6P2Si2 — CID 100932103

IUPAC4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[P+]([O-])(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)O[P+]([O-])(c2ccccc2)O1
InChIInChI=1S/C28H46O6P2Si2/c1-25(2,3)37(26(4,5)6)31-35(29,23-19-15-13-16-20-23)33-38(27(7,8)9,28(10,11)12)34-36(30,32-37)24-21-17-14-18-22-24/h13-22H,1-12H3
InChIKeyFZKLYDWKHSLKRB-UHFFFAOYSA-N
MW596.79 g/mol
LogP7.05
Rot. Bonds2

About 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium

4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium (PubChem CID 100932103) has the molecular formula C28H46O6P2Si2 and a molecular weight of 596.79 g/mol. Its IUPAC name is 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium.

Molecular Properties

Compound Name4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium
PubChem CID100932103
Molecular FormulaC28H46O6P2Si2
Molecular Weight596.79 g/mol
Exact Mass596.23
IUPAC Name4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[P+]([O-])(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)O[P+]([O-])(c2ccccc2)O1
InChIInChI=1S/C28H46O6P2Si2/c1-25(2,3)37(26(4,5)6)31-35(29,23-19-15-13-16-20-23)33-38(27(7,8)9,28(10,11)12)34-36(30,32-37)24-21-17-14-18-22-24/h13-22H,1-12H3
InChIKeyFZKLYDWKHSLKRB-UHFFFAOYSA-N
XLogP7.05
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.79
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium?
The IUPAC name of 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium (CID 100932103) is 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium.
What is the SMILES notation for 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium?
The canonical SMILES for 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium is CC(C)(C)[Si]1(C(C)(C)C)O[P+]([O-])(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)O[P+]([O-])(c2ccccc2)O1.
What is the InChIKey of 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium?
The InChIKey is FZKLYDWKHSLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O6P2Si2/c1-25(2,3)37(26(4,5)6)31-35(29,23-19-15-13-16-20-23)33-38(27(7,8)9,28(10,11)12)34-36(30,32-37)24-21-17-14-18-22-24/h13-22H,1-12H3.
What are the key properties of 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium?
4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium has a molecular weight of 596.79 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetratert-butyl-2,6-dioxido-2,6-diphenyl-1,3,5,7,2,6,4,8-tetraoxadiphosphadisilocane-2,6-diium is sourced from PubChem (CID 100932103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).