3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C23H32NO2P — CID 134977508

About 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide

3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 134977508) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

• Compound Name: 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
• PubChem CID: 134977508
• Molecular Formula: C23H32NO2P
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.22
• IUPAC Name: 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
• SMILES: CC(C)CCP1(=O)OC(c2ccccc2)C(c2ccccc2)N1C(C)(C)C
• InChI: InChI=1S/C23H32NO2P/c1-18(2)16-17-27(25)24(23(3,4)5)21(19-12-8-6-9-13-19)22(26-27)20-14-10-7-11-15-20/h6-15,18,21-22H,16-17H2,1-5H3
• InChIKey: XJDZMWZCNVMVFE-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?

The IUPAC name of 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 134977508) is 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

What is the SMILES notation for 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?

The canonical SMILES for 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is CC(C)CCP1(=O)OC(c2ccccc2)C(c2ccccc2)N1C(C)(C)C.

What is the InChIKey of 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?

The InChIKey is XJDZMWZCNVMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-18(2)16-17-27(25)24(23(3,4)5)21(19-12-8-6-9-13-19)22(26-27)20-14-10-7-11-15-20/h6-15,18,21-22H,16-17H2,1-5H3.

What are the key properties of 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide?

3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 385.49 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2-(3-methylbutyl)-4,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 134977508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).