tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane

C22H29NO3Si — CID 177426805

IUPACtert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
SMILESCOC12CC[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N1O2
InChIInChI=1S/C22H29NO3Si/c1-21(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-22(24-4)23(18)26-22/h5-14,18H,15-17H2,1-4H3/t18-,22?,23?/m0/s1
InChIKeySGCVJKXBUAYJJG-NWLLBJEDSA-N
MW383.56 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane (PubChem CID 177426805) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
PubChem CID177426805
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Nametert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
SMILESCOC12CC[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N1O2
InChIInChI=1S/C22H29NO3Si/c1-21(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-22(24-4)23(18)26-22/h5-14,18H,15-17H2,1-4H3/t18-,22?,23?/m0/s1
InChIKeySGCVJKXBUAYJJG-NWLLBJEDSA-N
XLogP3.27
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane with MolForge

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Related Compounds

methyl (3S,8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 167381104
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 167381124
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethynyl-2-hydroxypyrrolidine-1-carboxylate
CID 142989267
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(3S,8S,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-hydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11112628
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
1-O-benzyl 3-O-methyl (3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpiperidine-1,3-dicarboxylate
CID 140831183
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane (CID 177426805) is tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane is COC12CC[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N1O2.
What is the InChIKey of tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The InChIKey is SGCVJKXBUAYJJG-NWLLBJEDSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-21(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)25-17-18-15-16-22(24-4)23(18)26-22/h5-14,18H,15-17H2,1-4H3/t18-,22?,23?/m0/s1.
What are the key properties of tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane has a molecular weight of 383.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 177426805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).