tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane

C23H32O2SeSi — CID 15517186

IUPACtert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
SMILESCC1(C)O[C@@H](c2ccccc2)[C@]1(O[Si](C)(C)C(C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C23H32O2SeSi/c1-21(2,3)27(6,7)25-23(26-19-16-12-9-13-17-19)20(24-22(23,4)5)18-14-10-8-11-15-18/h8-17,20H,1-7H3/t20-,23-/m0/s1
InChIKeyZQIYNNKPJSBYNX-REWPJTCUSA-N
MW447.55 g/mol
LogP5.28
Rot. Bonds5

About tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane (PubChem CID 15517186) has the molecular formula C23H32O2SeSi and a molecular weight of 447.55 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
PubChem CID15517186
Molecular FormulaC23H32O2SeSi
Molecular Weight447.55 g/mol
Exact Mass448.13
IUPAC Nametert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
SMILESCC1(C)O[C@@H](c2ccccc2)[C@]1(O[Si](C)(C)C(C)(C)C)[Se]c1ccccc1
InChIInChI=1S/C23H32O2SeSi/c1-21(2,3)27(6,7)25-23(26-19-16-12-9-13-17-19)20(24-22(23,4)5)18-14-10-8-11-15-18/h8-17,20H,1-7H3/t20-,23-/m0/s1
InChIKeyZQIYNNKPJSBYNX-REWPJTCUSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S,4R)-2,2-dimethyl-3-methylsulfanyl-4-phenyloxetan-3-yl]oxy-dimethylsilane
CID 101051271
tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
CID 101214228
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
ethyl 2-[(2R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-phenyl-2-(trichloromethyl)-1,3-dioxan-4-yl]acetate
CID 14530690
2-[dibromo-[dibromo-(2-methyl-3-phenyloxiran-2-yl)methoxy]methyl]-2-methyl-3-phenyloxirane
CID 134607099
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
tert-butyl-dimethyl-[(3,6,6-trimethyl-4-phenyl-4,5-dihydrooxazin-2-ium-2-yl)oxy]silane
CID 11465844
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
CID 139903355

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane (CID 15517186) is tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane is CC1(C)O[C@@H](c2ccccc2)[C@]1(O[Si](C)(C)C(C)(C)C)[Se]c1ccccc1.
What is the InChIKey of tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane?
The InChIKey is ZQIYNNKPJSBYNX-REWPJTCUSA-N. The full InChI is InChI=1S/C23H32O2SeSi/c1-21(2,3)27(6,7)25-23(26-19-16-12-9-13-17-19)20(24-22(23,4)5)18-14-10-8-11-15-18/h8-17,20H,1-7H3/t20-,23-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane has a molecular weight of 447.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 15517186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).