(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol

C21H40O4Si2 — CID 122393357

About (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol

(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 122393357) has the molecular formula C21H40O4Si2 and a molecular weight of 412.72 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

• Compound Name: (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
• PubChem CID: 122393357
• Molecular Formula: C21H40O4Si2
• Molecular Weight: 412.72 g/mol
• Exact Mass: 412.25
• IUPAC Name: (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
• SMILES: CC(C)O[C@@H]1C=C[C@H]([C@@H](O)C#C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C21H40O4Si2/c1-16(2)24-20-12-11-17(18(22)13-14-26(6,7)8)19(25-20)15-23-27(9,10)21(3,4)5/h11-12,16-20,22H,15H2,1-10H3/t17-,18+,19-,20+/m1/s1
• InChIKey: IZOQXWXHOWBRFW-WCIQWLHISA-N
• XLogP: 4.57
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.72
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The IUPAC name of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 122393357) is (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.

What is the SMILES notation for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The canonical SMILES for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is CC(C)O[C@@H]1C=C[C@H]([C@@H](O)C#C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The InChIKey is IZOQXWXHOWBRFW-WCIQWLHISA-N. The full InChI is InChI=1S/C21H40O4Si2/c1-16(2)24-20-12-11-17(18(22)13-14-26(6,7)8)19(25-20)15-23-27(9,10)21(3,4)5/h11-12,16-20,22H,15H2,1-10H3/t17-,18+,19-,20+/m1/s1.

What are the key properties of (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

(1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 412.72 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 122393357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).