silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide

C28H40AgO4P — CID 71573958

IUPACsilver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Ag+]
InChIInChI=1S/C28H41O4P.Ag/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(29,30)31-23(19)21(15-17)27(7,8)9;/h13-16H,1-12H3,(H,29,30);/q;+1/p-1
InChIKeyCYKJKAPOBZXWCE-UHFFFAOYSA-M
MW579.47 g/mol
LogP7.78
Rot. Bonds

About silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide

silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide (PubChem CID 71573958) has the molecular formula C28H40AgO4P and a molecular weight of 579.47 g/mol. Its IUPAC name is silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide.

Molecular Properties

Compound Namesilver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
PubChem CID71573958
Molecular FormulaC28H40AgO4P
Molecular Weight579.47 g/mol
Exact Mass578.17
IUPAC Namesilver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Ag+]
InChIInChI=1S/C28H41O4P.Ag/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(29,30)31-23(19)21(15-17)27(7,8)9;/h13-16H,1-12H3,(H,29,30);/q;+1/p-1
InChIKeyCYKJKAPOBZXWCE-UHFFFAOYSA-M
XLogP7.78
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.47
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide with MolForge

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Related Compounds

lithium 2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide
CID 69257425
sodium 2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide
CID 23709252
aluminum tris(2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide)
CID 157373239
magnesium bis(1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide)
CID 22272209
lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 23716759
calcium;magnesium;strontium;hydride;tris(1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide)
CID 158719232
CID 162068082
CID 162068082
sodium 1,3,7,9-tetratert-butyl-4,6-dimethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 139878544
sodium 11-oxido-1,3,7,9-tetrakis(2,4,4-trimethylpentan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 162232657
benzyl 2-(2,4,8,10-tetratert-butyl-6-oxobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyacetate
CID 21199614
sodium 1,3,7,9-tetrakis(2-methylbutan-2-yl)-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 139878547
6,8-ditert-butyl-2-methyl-2,3-dihydrochromen-4-one
CID 43536433

Frequently Asked Questions

What is the IUPAC name of silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The IUPAC name of silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide (CID 71573958) is silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide.
What is the SMILES notation for silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The canonical SMILES for silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c-2cc(C(C)(C)C)cc1C(C)(C)C.[Ag+].
What is the InChIKey of silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
The InChIKey is CYKJKAPOBZXWCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H41O4P.Ag/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(29,30)31-23(19)21(15-17)27(7,8)9;/h13-16H,1-12H3,(H,29,30);/q;+1/p-1.
What are the key properties of silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide?
silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide has a molecular weight of 579.47 g/mol, XLogP of 7.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide is sourced from PubChem (CID 71573958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).