(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol

C21H42O3Si2 — CID 11143802

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-13-15-19(24-26(11,12)21(6,7)8)17(16-22)18(14-2)23-25(9,10)20(3,4)5/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18-,19-/m1/s1
InChIKeyXHXAOFMZCLWZEZ-GUDVDZBRSA-N
MW398.74 g/mol
LogP5.59
Rot. Bonds9

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol (PubChem CID 11143802) has the molecular formula C21H42O3Si2 and a molecular weight of 398.74 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol
PubChem CID11143802
Molecular FormulaC21H42O3Si2
Molecular Weight398.74 g/mol
Exact Mass398.27
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si2/c1-13-15-19(24-26(11,12)21(6,7)8)17(16-22)18(14-2)23-25(9,10)20(3,4)5/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18-,19-/m1/s1
InChIKeyXHXAOFMZCLWZEZ-GUDVDZBRSA-N
XLogP5.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.74
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol (CID 11143802) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol?
The InChIKey is XHXAOFMZCLWZEZ-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H42O3Si2/c1-13-15-19(24-26(11,12)21(6,7)8)17(16-22)18(14-2)23-25(9,10)20(3,4)5/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18-,19-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol has a molecular weight of 398.74 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-yn-1-ol is sourced from PubChem (CID 11143802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).