tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

C21H42O4Si2 — CID 10740547

About tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (PubChem CID 10740547) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
• PubChem CID: 10740547
• Molecular Formula: C21H42O4Si2
• Molecular Weight: 414.74 g/mol
• Exact Mass: 414.26
• IUPAC Name: tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
• SMILES: C=CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C21H42O4Si2/c1-12-15-22-19-14-13-17(25-27(10,11)21(5,6)7)18(24-19)16-23-26(8,9)20(2,3)4/h12-14,17-19H,1,15-16H2,2-11H3/t17-,18+,19-/m0/s1
• InChIKey: NIUFDRHJLFMWPY-OTWHNJEPSA-N
• XLogP: 5.88
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.74
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (CID 10740547) is tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

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

The canonical SMILES for tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is C=CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?

The InChIKey is NIUFDRHJLFMWPY-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-12-15-22-19-14-13-17(25-27(10,11)21(5,6)7)18(24-19)16-23-26(8,9)20(2,3)4/h12-14,17-19H,1,15-16H2,2-11H3/t17-,18+,19-/m0/s1.

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

tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane has a molecular weight of 414.74 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10740547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).