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

C31H58O5Si3 — CID 102420199

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

[(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102420199) has the molecular formula C31H58O5Si3 and a molecular weight of 595.06 g/mol. Its IUPAC name is [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 102420199
• Molecular Formula: C31H58O5Si3
• Molecular Weight: 595.06 g/mol
• Exact Mass: 594.36
• IUPAC Name: [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: COc1ccc([C@@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)cc1
• InChI: InChI=1S/C31H58O5Si3/c1-29(2,3)37(11,12)33-22-27-28(36-39(15,16)31(7,8)9)26(35-38(13,14)30(4,5)6)21-25(34-27)23-17-19-24(32-10)20-18-23/h17-21,25,27-28H,22H2,1-16H3/t25-,27+,28-/m0/s1
• InChIKey: YYIPIWFTNQCDAO-ITHJLQSDSA-N
• XLogP: 9.45
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.06
LogP ≤ 5	9.45
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 [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102420199) is [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is COc1ccc([C@@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)cc1.

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

The InChIKey is YYIPIWFTNQCDAO-ITHJLQSDSA-N. The full InChI is InChI=1S/C31H58O5Si3/c1-29(2,3)37(11,12)33-22-27-28(36-39(15,16)31(7,8)9)26(35-38(13,14)30(4,5)6)21-25(34-27)23-17-19-24(32-10)20-18-23/h17-21,25,27-28H,22H2,1-16H3/t25-,27+,28-/m0/s1.

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

[(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 595.06 g/mol, XLogP of 9.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102420199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).