3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

C110H150O12P4 — CID 160573857

About 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (PubChem CID 160573857) has the molecular formula C110H150O12P4 and a molecular weight of 1788.29 g/mol. Its IUPAC name is 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

Molecular Properties

• Compound Name: 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
• PubChem CID: 160573857
• Molecular Formula: C110H150O12P4
• Molecular Weight: 1788.29 g/mol
• Exact Mass: 1787.01
• IUPAC Name: 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
• SMILES: CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1.COP1Oc2c(cc(CC(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1
• InChI: InChI=1S/C53H58O6P2.C30H45O3P.C27H47O3P/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-19(2)13-20-14-21-16-22-17-23(28(3,4)5)18-25(30(9,10)11)27(22)33-34(31-12)32-26(21)24(15-20)29(6,7)8;1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h9-34H,35-38H2,1-8H3;14-15,17-19H,13,16H2,1-12H3;16-17H,12-15,18-19H2,1-11H3
• InChIKey: RAWVCNDJCFFBFP-UHFFFAOYSA-N
• XLogP: 31.81
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.29
LogP ≤ 5	31.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The IUPAC name of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (CID 160573857) is 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

What is the SMILES notation for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The canonical SMILES for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1.COP1Oc2c(cc(CC(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1.

What is the InChIKey of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The InChIKey is RAWVCNDJCFFBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58O6P2.C30H45O3P.C27H47O3P/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-19(2)13-20-14-21-16-22-17-23(28(3,4)5)18-25(30(9,10)11)27(22)33-34(31-12)32-26(21)24(15-20)29(6,7)8;1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h9-34H,35-38H2,1-8H3;14-15,17-19H,13,16H2,1-12H3;16-17H,12-15,18-19H2,1-11H3.

What are the key properties of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine has a molecular weight of 1788.29 g/mol, XLogP of 31.81, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is sourced from PubChem (CID 160573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).