(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

C32H37NO5Si — CID 11307283

About (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol

(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (PubChem CID 11307283) has the molecular formula C32H37NO5Si and a molecular weight of 543.74 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

• Compound Name: (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
• PubChem CID: 11307283
• Molecular Formula: C32H37NO5Si
• Molecular Weight: 543.74 g/mol
• Exact Mass: 543.24
• IUPAC Name: (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
• SMILES: CC1(C)O[C@H]2[C@@H](O1)C(O)(c1cc3ccccc3[nH]1)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C32H37NO5Si/c1-30(2,3)39(23-15-8-6-9-16-23,24-17-10-7-11-18-24)35-21-26-28-29(38-31(4,5)37-28)32(34,36-26)27-20-22-14-12-13-19-25(22)33-27/h6-20,26,28-29,33-34H,21H2,1-5H3/t26-,28-,29-,32?/m1/s1
• InChIKey: WAJYKTOMLXCJAS-IBTCCFRKSA-N
• XLogP: 4.81
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.74
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?

The IUPAC name of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol (CID 11307283) is (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol.

What is the SMILES notation for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?

The canonical SMILES for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@H]2[C@@H](O1)C(O)(c1cc3ccccc3[nH]1)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?

The InChIKey is WAJYKTOMLXCJAS-IBTCCFRKSA-N. The full InChI is InChI=1S/C32H37NO5Si/c1-30(2,3)39(23-15-8-6-9-16-23,24-17-10-7-11-18-24)35-21-26-28-29(38-31(4,5)37-28)32(34,36-26)27-20-22-14-12-13-19-25(22)33-27/h6-20,26,28-29,33-34H,21H2,1-5H3/t26-,28-,29-,32?/m1/s1.

What are the key properties of (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol?

(3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol has a molecular weight of 543.74 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1H-indol-2-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 11307283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).