tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane

C30H44O5Si — CID 102251588

About tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane (PubChem CID 102251588) has the molecular formula C30H44O5Si and a molecular weight of 512.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
• PubChem CID: 102251588
• Molecular Formula: C30H44O5Si
• Molecular Weight: 512.76 g/mol
• Exact Mass: 512.30
• IUPAC Name: tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](OCc2ccccc2)[C@@H]([C@@H]2CC[C@@H](COCc3ccccc3)O2)O1
• InChI: InChI=1S/C30H44O5Si/c1-30(2,3)36(4,5)33-22-26-18-28(32-20-24-14-10-7-11-15-24)29(35-26)27-17-16-25(34-27)21-31-19-23-12-8-6-9-13-23/h6-15,25-29H,16-22H2,1-5H3/t25-,26-,27-,28+,29+/m0/s1
• InChIKey: YQWUPSNIQSXRMC-OTJWULCMSA-N
• XLogP: 6.52
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.76
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
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 tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane (CID 102251588) is tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](OCc2ccccc2)[C@@H]([C@@H]2CC[C@@H](COCc3ccccc3)O2)O1.

What is the InChIKey of tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane?

The InChIKey is YQWUPSNIQSXRMC-OTJWULCMSA-N. The full InChI is InChI=1S/C30H44O5Si/c1-30(2,3)36(4,5)33-22-26-18-28(32-20-24-14-10-7-11-15-24)29(35-26)27-17-16-25(34-27)21-31-19-23-12-8-6-9-13-23/h6-15,25-29H,16-22H2,1-5H3/t25-,26-,27-,28+,29+/m0/s1.

What are the key properties of tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane?

tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane has a molecular weight of 512.76 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane is sourced from PubChem (CID 102251588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).