4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

C32H38F2O5Si — CID 58133473

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 58133473) has the molecular formula C32H38F2O5Si and a molecular weight of 568.73 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

• Compound Name: 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
• PubChem CID: 58133473
• Molecular Formula: C32H38F2O5Si
• Molecular Weight: 568.73 g/mol
• Exact Mass: 568.25
• IUPAC Name: 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
• SMILES: CC1(C)OC2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C(F)(F)c3ccccc3)C(O)C2O1
• InChI: InChI=1S/C32H38F2O5Si/c1-30(2,3)40(23-17-11-7-12-18-23,24-19-13-8-14-20-24)36-21-25-27-28(39-31(4,5)38-27)26(35)29(37-25)32(33,34)22-15-9-6-10-16-22/h6-20,25-29,35H,21H2,1-5H3
• InChIKey: OJUQQZCREFZOJK-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.73
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
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 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?

The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 58133473) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?

The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is CC1(C)OC2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(C(F)(F)c3ccccc3)C(O)C2O1.

What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?

The InChIKey is OJUQQZCREFZOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2O5Si/c1-30(2,3)40(23-17-11-7-12-18-23,24-19-13-8-14-20-24)36-21-25-27-28(39-31(4,5)38-27)26(35)29(37-25)32(33,34)22-15-9-6-10-16-22/h6-20,25-29,35H,21H2,1-5H3.

What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 568.73 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[difluoro(phenyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 58133473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).