(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

C28H42O4Si2 — CID 10907211

About (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (PubChem CID 10907211) has the molecular formula C28H42O4Si2 and a molecular weight of 498.81 g/mol. Its IUPAC name is (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.

Molecular Properties

• Compound Name: (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
• PubChem CID: 10907211
• Molecular Formula: C28H42O4Si2
• Molecular Weight: 498.81 g/mol
• Exact Mass: 498.26
• IUPAC Name: (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
• InChI: InChI=1S/C28H42O4Si2/c1-27(2,3)33(7,8)32-25-20-19-22(31-26(25)29)21-30-34(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25H,19-21H2,1-8H3/t22-,25+/m0/s1
• InChIKey: RVBRLMVERZXERP-WIOPSUGQSA-N
• XLogP: 5.66
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.81
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?

The IUPAC name of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (CID 10907211) is (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.

What is the SMILES notation for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?

The canonical SMILES for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.

What is the InChIKey of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?

The InChIKey is RVBRLMVERZXERP-WIOPSUGQSA-N. The full InChI is InChI=1S/C28H42O4Si2/c1-27(2,3)33(7,8)32-25-20-19-22(31-26(25)29)21-30-34(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25H,19-21H2,1-8H3/t22-,25+/m0/s1.

What are the key properties of (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?

(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one has a molecular weight of 498.81 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is sourced from PubChem (CID 10907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).