(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

C26H42O3Si2 — CID 134931132

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-21(29-30(8,9)25(2,3)4)24(27)20-28-31(26(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,21,24,27H,20H2,1-9H3/t21-,24-/m0/s1
InChIKeyMAQMYQQFRDFAGN-URXFXBBRSA-N
MW458.79 g/mol
LogP5.33
Rot. Bonds8

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (PubChem CID 134931132) has the molecular formula C26H42O3Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
PubChem CID134931132
Molecular FormulaC26H42O3Si2
Molecular Weight458.79 g/mol
Exact Mass458.27
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-21(29-30(8,9)25(2,3)4)24(27)20-28-31(26(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,21,24,27H,20H2,1-9H3/t21-,24-/m0/s1
InChIKeyMAQMYQQFRDFAGN-URXFXBBRSA-N
XLogP5.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (CID 134931132) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The InChIKey is MAQMYQQFRDFAGN-URXFXBBRSA-N. The full InChI is InChI=1S/C26H42O3Si2/c1-21(29-30(8,9)25(2,3)4)24(27)20-28-31(26(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,21,24,27H,20H2,1-9H3/t21-,24-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol has a molecular weight of 458.79 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 134931132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).