tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane

C27H42O2Si2 — CID 11080944

IUPACtert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C27H42O2Si2/c1-26(2,3)30(7,8)28-20-22-19-23(29-22)21-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1
InChIKeyQRYCDOYRUNRBFY-XZOQPEGZSA-N
MW454.80 g/mol
LogP6.23
Rot. Bonds7

About tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane

tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane (PubChem CID 11080944) has the molecular formula C27H42O2Si2 and a molecular weight of 454.80 g/mol. Its IUPAC name is tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane
PubChem CID11080944
Molecular FormulaC27H42O2Si2
Molecular Weight454.80 g/mol
Exact Mass454.27
IUPAC Nametert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C27H42O2Si2/c1-26(2,3)30(7,8)28-20-22-19-23(29-22)21-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1
InChIKeyQRYCDOYRUNRBFY-XZOQPEGZSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.80
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane (CID 11080944) is tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane?
The InChIKey is QRYCDOYRUNRBFY-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H42O2Si2/c1-26(2,3)30(7,8)28-20-22-19-23(29-22)21-31(27(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane?
tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane has a molecular weight of 454.80 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-yl]methyl]-diphenylsilane is sourced from PubChem (CID 11080944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).