[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite

C46H62O10P2 — CID 15123647

About [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite

[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite (PubChem CID 15123647) has the molecular formula C46H62O10P2 and a molecular weight of 836.94 g/mol. Its IUPAC name is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite.

Molecular Properties

• Compound Name: [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite
• PubChem CID: 15123647
• Molecular Formula: C46H62O10P2
• Molecular Weight: 836.94 g/mol
• Exact Mass: 836.38
• IUPAC Name: [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite
• SMILES: COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP(OC)OC)c(C(C)(C)C)c1
• InChI: InChI=1S/C46H62O10P2/c1-43(2,3)35-23-27(47-13)19-31(39(35)53-57(51-17)52-18)32-20-28(48-14)24-36(44(4,5)6)40(32)54-58-55-41-33(21-29(49-15)25-37(41)45(7,8)9)34-22-30(50-16)26-38(42(34)56-58)46(10,11)12/h19-26H,1-18H3
• InChIKey: RWCLDYABCVQSFX-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 100.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.94
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite?

The IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite (CID 15123647) is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite.

What is the SMILES notation for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite?

The canonical SMILES for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP(OC)OC)c(C(C)(C)C)c1.

What is the InChIKey of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite?

The InChIKey is RWCLDYABCVQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H62O10P2/c1-43(2,3)35-23-27(47-13)19-31(39(35)53-57(51-17)52-18)32-20-28(48-14)24-36(44(4,5)6)40(32)54-58-55-41-33(21-29(49-15)25-37(41)45(7,8)9)34-22-30(50-16)26-38(42(34)56-58)46(10,11)12/h19-26H,1-18H3.

What are the key properties of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite?

[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite has a molecular weight of 836.94 g/mol, XLogP of 13.92, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite is sourced from PubChem (CID 15123647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).