tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane

C16H27NOSi — CID 11471425

IUPACtert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
SMILESCN1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(5,6)18-12-14-15(17(14)4)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-,17?/m1/s1
InChIKeyUQKBMCQQLIJWJR-BLBXNVQISA-N
MW277.48 g/mol
LogP4.06
Rot. Bonds4

About tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane (PubChem CID 11471425) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
PubChem CID11471425
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Nametert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
SMILESCN1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(5,6)18-12-14-15(17(14)4)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-,17?/m1/s1
InChIKeyUQKBMCQQLIJWJR-BLBXNVQISA-N
XLogP4.06
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
tert-butyl-[[(4S,5S)-2,2-dioxo-5-phenyl-1,3,2-dioxathiolan-4-yl]methoxy]-dimethylsilane
CID 102524605
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
(2R,3S,6R,7S)-4-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-2-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-5,8-dione
CID 101423722
[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylmethoxyaziridin-2-yl]methyl acetate
CID 101002260
tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
CID 166448933
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-methylphenyl)aziridine-1-carboxylate
CID 58488231

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane (CID 11471425) is tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane is CN1[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane?
The InChIKey is UQKBMCQQLIJWJR-BLBXNVQISA-N. The full InChI is InChI=1S/C16H27NOSi/c1-16(2,3)19(5,6)18-12-14-15(17(14)4)13-10-8-7-9-11-13/h7-11,14-15H,12H2,1-6H3/t14-,15-,17?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane has a molecular weight of 277.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane is sourced from PubChem (CID 11471425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).