3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine

C40H66N2O4P2 — CID 14228127

About 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine

3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine (PubChem CID 14228127) has the molecular formula C40H66N2O4P2 and a molecular weight of 700.93 g/mol. Its IUPAC name is 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine.

Molecular Properties

• Compound Name: 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
• PubChem CID: 14228127
• Molecular Formula: C40H66N2O4P2
• Molecular Weight: 700.93 g/mol
• Exact Mass: 700.45
• IUPAC Name: 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP2OCCN2C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1
• InChI: InChI=1S/C40H66N2O4P2/c1-35(2,3)27-23-29(33(31(25-27)37(7,8)9)45-47-41(19-21-43-47)39(13,14)15)30-24-28(36(4,5)6)26-32(38(10,11)12)34(30)46-48-42(20-22-44-48)40(16,17)18/h23-26H,19-22H2,1-18H3
• InChIKey: YTFLYPYKJSAAAP-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.93
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?

The IUPAC name of 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine (CID 14228127) is 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine.

What is the SMILES notation for 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?

The canonical SMILES for 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP2OCCN2C(C)(C)C)c(OP2OCCN2C(C)(C)C)c(C(C)(C)C)c1.

What is the InChIKey of 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?

The InChIKey is YTFLYPYKJSAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H66N2O4P2/c1-35(2,3)27-23-29(33(31(25-27)37(7,8)9)45-47-41(19-21-43-47)39(13,14)15)30-24-28(36(4,5)6)26-32(38(10,11)12)34(30)46-48-42(20-22-44-48)40(16,17)18/h23-26H,19-22H2,1-18H3.

What are the key properties of 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine?

3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine has a molecular weight of 700.93 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]phenoxy]-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).