(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol

C26H42O3Si2 — CID 50915509

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-25(2,3)30(7,8)28-20-19-22(21-27)29-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,27H,19-21H2,1-8H3/t22-/m0/s1
InChIKeyRYFQOJYJFLJENE-QFIPXVFZSA-N
MW458.79 g/mol
LogP5.34
Rot. Bonds9

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol (PubChem CID 50915509) has the molecular formula C26H42O3Si2 and a molecular weight of 458.79 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol
PubChem CID50915509
Molecular FormulaC26H42O3Si2
Molecular Weight458.79 g/mol
Exact Mass458.27
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H42O3Si2/c1-25(2,3)30(7,8)28-20-19-22(21-27)29-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,27H,19-21H2,1-8H3/t22-/m0/s1
InChIKeyRYFQOJYJFLJENE-QFIPXVFZSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.34
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)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol (CID 50915509) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol is CC(C)(C)[Si](C)(C)OCC[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol?
The InChIKey is RYFQOJYJFLJENE-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H42O3Si2/c1-25(2,3)30(7,8)28-20-19-22(21-27)29-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,27H,19-21H2,1-8H3/t22-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol has a molecular weight of 458.79 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxybutan-1-ol is sourced from PubChem (CID 50915509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).