2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane

C26H35N3O4Si — CID 46856113

About 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane

2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 46856113) has the molecular formula C26H35N3O4Si and a molecular weight of 481.67 g/mol. Its IUPAC name is 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane
• PubChem CID: 46856113
• Molecular Formula: C26H35N3O4Si
• Molecular Weight: 481.67 g/mol
• Exact Mass: 481.24
• IUPAC Name: 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane
• SMILES: CC1(C)O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1
• InChI: InChI=1S/C26H35N3O4Si/c1-25(2,3)34(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-17-16-21-22(18-28-29-27)31-24-23(21)32-26(4,5)33-24/h6-15,21-24H,16-18H2,1-5H3/t21-,22-,23-,24-/m1/s1
• InChIKey: LMNQUYBYNVLCGS-MOUTVQLLSA-N
• XLogP: 4.76
• TPSA: 85.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.67
LogP ≤ 5	4.76
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 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane?

The IUPAC name of 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane (CID 46856113) is 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane?

The canonical SMILES for 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane is CC1(C)O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.

What is the InChIKey of 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane?

The InChIKey is LMNQUYBYNVLCGS-MOUTVQLLSA-N. The full InChI is InChI=1S/C26H35N3O4Si/c1-25(2,3)34(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-17-16-21-22(18-28-29-27)31-24-23(21)32-26(4,5)33-24/h6-15,21-24H,16-18H2,1-5H3/t21-,22-,23-,24-/m1/s1.

What are the key properties of 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane?

2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 481.67 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 46856113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).