2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one

C56H82O7P2Si2 — CID 58640341

IUPAC2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc([Si](C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2OCC(=O)O2)c([Si](C)(C)C)c1
InChIInChI=1S/C56H82O7P2Si2/c1-51(2,3)34-25-38-39-26-35(52(4,5)6)30-43(56(16,17)18)48(39)61-65(60-47(38)42(29-34)55(13,14)15)63-50-41(28-37(54(10,11)12)32-45(50)67(22,23)24)40-27-36(53(7,8)9)31-44(66(19,20)21)49(40)62-64-58-33-46(57)59-64/h25-32H,33H2,1-24H3
InChIKeyXGELPLUWVJVQLD-UHFFFAOYSA-N
MW985.38 g/mol
LogP16.85
Rot. Bonds7

About 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one

2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one (PubChem CID 58640341) has the molecular formula C56H82O7P2Si2 and a molecular weight of 985.38 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one.

Molecular Properties

Compound Name2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
PubChem CID58640341
Molecular FormulaC56H82O7P2Si2
Molecular Weight985.38 g/mol
Exact Mass984.51
IUPAC Name2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc([Si](C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2OCC(=O)O2)c([Si](C)(C)C)c1
InChIInChI=1S/C56H82O7P2Si2/c1-51(2,3)34-25-38-39-26-35(52(4,5)6)30-43(56(16,17)18)48(39)61-65(60-47(38)42(29-34)55(13,14)15)63-50-41(28-37(54(10,11)12)32-45(50)67(22,23)24)40-27-36(53(7,8)9)31-44(66(19,20)21)49(40)62-64-58-33-46(57)59-64/h25-32H,33H2,1-24H3
InChIKeyXGELPLUWVJVQLD-UHFFFAOYSA-N
XLogP16.85
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.38
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one?
The IUPAC name of 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one (CID 58640341) is 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one.
What is the SMILES notation for 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one?
The canonical SMILES for 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc([Si](C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2OCC(=O)O2)c([Si](C)(C)C)c1.
What is the InChIKey of 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one?
The InChIKey is XGELPLUWVJVQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H82O7P2Si2/c1-51(2,3)34-25-38-39-26-35(52(4,5)6)30-43(56(16,17)18)48(39)61-65(60-47(38)42(29-34)55(13,14)15)63-50-41(28-37(54(10,11)12)32-45(50)67(22,23)24)40-27-36(53(7,8)9)31-44(66(19,20)21)49(40)62-64-58-33-46(57)59-64/h25-32H,33H2,1-24H3.
What are the key properties of 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one?
2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one has a molecular weight of 985.38 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one is sourced from PubChem (CID 58640341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).