tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane

C28H42O6Si — CID 134863667

About tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane

tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane (PubChem CID 134863667) has the molecular formula C28H42O6Si and a molecular weight of 502.72 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane
• PubChem CID: 134863667
• Molecular Formula: C28H42O6Si
• Molecular Weight: 502.72 g/mol
• Exact Mass: 502.28
• IUPAC Name: tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane
• SMILES: COCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(CC1OCCO1)OC
• InChI: InChI=1S/C28H42O6Si/c1-22(26(33-21-29-6)28(5,30-7)20-25-31-18-19-32-25)34-35(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25-26H,18-21H2,1-7H3/t22-,26-,28+/m0/s1
• InChIKey: YZOZTIVLFYMDPT-CVTPTMSISA-N
• XLogP: 4.11
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.72
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane?

The IUPAC name of tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane (CID 134863667) is tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane?

The canonical SMILES for tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane is COCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(CC1OCCO1)OC.

What is the InChIKey of tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane?

The InChIKey is YZOZTIVLFYMDPT-CVTPTMSISA-N. The full InChI is InChI=1S/C28H42O6Si/c1-22(26(33-21-29-6)28(5,30-7)20-25-31-18-19-32-25)34-35(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25-26H,18-21H2,1-7H3/t22-,26-,28+/m0/s1.

What are the key properties of tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane?

tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane has a molecular weight of 502.72 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,3S,4R)-5-(1,3-dioxolan-2-yl)-4-methoxy-3-(methoxymethoxy)-4-methylpentan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 134863667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).