tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

C24H33NO2Si — CID 157399412

IUPACtert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCC1OC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1N(C)C2
InChIInChI=1S/C24H33NO2Si/c1-19-22-16-24(27-19,17-25(22)5)18-26-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,16-18H2,1-5H3/t19?,22-,24?/m1/s1
InChIKeyANLITNAGQWAXSS-HWDGFJGFSA-N
MW395.62 g/mol
LogP3.42
Rot. Bonds5

About tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (PubChem CID 157399412) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
PubChem CID157399412
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Nametert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCC1OC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1N(C)C2
InChIInChI=1S/C24H33NO2Si/c1-19-22-16-24(27-19,17-25(22)5)18-26-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,16-18H2,1-5H3/t19?,22-,24?/m1/s1
InChIKeyANLITNAGQWAXSS-HWDGFJGFSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
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tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
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tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
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4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
CID 99772772
CID 59483014
CID 59483014
tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
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[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (CID 157399412) is tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is CC1OC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1N(C)C2.
What is the InChIKey of tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The InChIKey is ANLITNAGQWAXSS-HWDGFJGFSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-19-22-16-24(27-19,17-25(22)5)18-26-28(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22H,16-18H2,1-5H3/t19?,22-,24?/m1/s1.
What are the key properties of tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane has a molecular weight of 395.62 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 157399412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).