(2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole

C24H32O4P2 — CID 134949456

About (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole

(2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole (PubChem CID 134949456) has the molecular formula C24H32O4P2 and a molecular weight of 446.46 g/mol. Its IUPAC name is (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole.

Molecular Properties

• Compound Name: (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole
• PubChem CID: 134949456
• Molecular Formula: C24H32O4P2
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.18
• IUPAC Name: (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole
• SMILES: COc1cccc2c1P(C(C)(C)C)[C@H]([C@@H]1Oc3cccc(OC)c3P1C(C)(C)C)O2
• InChI: InChI=1S/C24H32O4P2/c1-23(2,3)29-19-15(25-7)11-9-13-17(19)27-21(29)22-28-18-14-10-12-16(26-8)20(18)30(22)24(4,5)6/h9-14,21-22H,1-8H3/t21-,22-,29?,30?/m1/s1
• InChIKey: KVPCVNGTJXEQKH-WWJCJQDFSA-N
• XLogP: 5.65
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole?

The IUPAC name of (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole (CID 134949456) is (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole.

What is the SMILES notation for (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole?

The canonical SMILES for (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole is COc1cccc2c1P(C(C)(C)C)[C@H]([C@@H]1Oc3cccc(OC)c3P1C(C)(C)C)O2.

What is the InChIKey of (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole?

The InChIKey is KVPCVNGTJXEQKH-WWJCJQDFSA-N. The full InChI is InChI=1S/C24H32O4P2/c1-23(2,3)29-19-15(25-7)11-9-13-17(19)27-21(29)22-28-18-14-10-12-16(26-8)20(18)30(22)24(4,5)6/h9-14,21-22H,1-8H3/t21-,22-,29?,30?/m1/s1.

What are the key properties of (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole?

(2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole has a molecular weight of 446.46 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-tert-butyl-2-[(2R)-3-tert-butyl-4-methoxy-2H-1,3-benzoxaphosphol-2-yl]-4-methoxy-2H-1,3-benzoxaphosphole is sourced from PubChem (CID 134949456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).