[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C30H55ClO4Si3 — CID 14559089

About [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 14559089) has the molecular formula C30H55ClO4Si3 and a molecular weight of 599.48 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 14559089
• Molecular Formula: C30H55ClO4Si3
• Molecular Weight: 599.48 g/mol
• Exact Mass: 598.31
• IUPAC Name: [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1OC(c2ccc(Cl)cc2)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H55ClO4Si3/c1-28(2,3)36(10,11)32-21-26-27(35-38(14,15)30(7,8)9)25(34-37(12,13)29(4,5)6)20-24(33-26)22-16-18-23(31)19-17-22/h16-20,25-27H,21H2,1-15H3/t25-,26-,27+/m1/s1
• InChIKey: IXXAUHVZLBIGGL-PFBJBMPXSA-N
• XLogP: 9.88
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.48
LogP ≤ 5	9.88
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 [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 14559089) is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1OC(c2ccc(Cl)cc2)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is IXXAUHVZLBIGGL-PFBJBMPXSA-N. The full InChI is InChI=1S/C30H55ClO4Si3/c1-28(2,3)36(10,11)32-21-26-27(35-38(14,15)30(7,8)9)25(34-37(12,13)29(4,5)6)20-24(33-26)22-16-18-23(31)19-17-22/h16-20,25-27H,21H2,1-15H3/t25-,26-,27+/m1/s1.

What are the key properties of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 599.48 g/mol, XLogP of 9.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-chlorophenyl)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14559089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).