[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

C19H39N3O4Si2 — CID 122403252

About [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 122403252) has the molecular formula C19H39N3O4Si2 and a molecular weight of 429.71 g/mol. Its IUPAC name is [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 122403252
• Molecular Formula: C19H39N3O4Si2
• Molecular Weight: 429.71 g/mol
• Exact Mass: 429.25
• IUPAC Name: [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1N=[N+]=[N-]
• InChI: InChI=1S/C19H39N3O4Si2/c1-17(2,3)27(10,11)25-15-14-13(24-16(15)21-22-20)12-23-28(26-14,18(4,5)6)19(7,8)9/h13-16H,12H2,1-11H3/t13-,14-,15-,16-/m1/s1
• InChIKey: HBKXZEPPMGYWRG-KLHDSHLOSA-N
• XLogP: 5.87
• TPSA: 85.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.71
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (CID 122403252) is [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1N=[N+]=[N-].

What is the InChIKey of [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is HBKXZEPPMGYWRG-KLHDSHLOSA-N. The full InChI is InChI=1S/C19H39N3O4Si2/c1-17(2,3)27(10,11)25-15-14-13(24-16(15)21-22-20)12-23-28(26-14,18(4,5)6)19(7,8)9/h13-16H,12H2,1-11H3/t13-,14-,15-,16-/m1/s1.

What are the key properties of [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?

[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 429.71 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 122403252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).