tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane

C28H42O4Si — CID 141485300

IUPACtert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
SMILESCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H42O4Si/c1-22(19-28(7,29-8)25-21-30-27(5,6)32-25)20-31-33(26(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25H,19-21H2,1-8H3/t22-,25-,28-/m1/s1
InChIKeyKWQIGIOFRBOBPI-WSOLHVCVSA-N
MW470.73 g/mol
LogP5.15
Rot. Bonds9

About tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane

tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane (PubChem CID 141485300) has the molecular formula C28H42O4Si and a molecular weight of 470.73 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
PubChem CID141485300
Molecular FormulaC28H42O4Si
Molecular Weight470.73 g/mol
Exact Mass470.29
IUPAC Nametert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
SMILESCO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H42O4Si/c1-22(19-28(7,29-8)25-21-30-27(5,6)32-25)20-31-33(26(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25H,19-21H2,1-8H3/t22-,25-,28-/m1/s1
InChIKeyKWQIGIOFRBOBPI-WSOLHVCVSA-N
XLogP5.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-prop-2-enoxypentoxy]-diphenylsilane
CID 165163184
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-phenylmethoxyhexan-2-amine
CID 102069591
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
CID 135079027
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane (CID 141485300) is tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane is CO[C@](C)(C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane?
The InChIKey is KWQIGIOFRBOBPI-WSOLHVCVSA-N. The full InChI is InChI=1S/C28H42O4Si/c1-22(19-28(7,29-8)25-21-30-27(5,6)32-25)20-31-33(26(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25H,19-21H2,1-8H3/t22-,25-,28-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane?
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane has a molecular weight of 470.73 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane is sourced from PubChem (CID 141485300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).