tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane

C24H32O2Si2 — CID 166437595

IUPACtert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@H]1OC1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si2/c1-24(2,3)28(20-13-9-7-10-14-20,21-15-11-8-12-16-21)25-19-23-22(26-23)17-18-27(4,5)6/h7-16,22-23H,19H2,1-6H3/t22?,23-/m1/s1
InChIKeyRXVQENRKIJVYPJ-OZAIVSQSSA-N
MW408.69 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane

tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane (PubChem CID 166437595) has the molecular formula C24H32O2Si2 and a molecular weight of 408.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
PubChem CID166437595
Molecular FormulaC24H32O2Si2
Molecular Weight408.69 g/mol
Exact Mass408.19
IUPAC Nametert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@H]1OC1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si2/c1-24(2,3)28(20-13-9-7-10-14-20,21-15-11-8-12-16-21)25-19-23-22(26-23)17-18-27(4,5)6/h7-16,22-23H,19H2,1-6H3/t22?,23-/m1/s1
InChIKeyRXVQENRKIJVYPJ-OZAIVSQSSA-N
XLogP4.21
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 54.21
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 11101116
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
[(2R,3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 11730884
tert-butyl-[[(4R,5S)-2,2-dimethyl-5-pent-1-ynyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 101378354
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane (CID 166437595) is tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane is CC(C)(C)[Si](OC[C@H]1OC1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane?
The InChIKey is RXVQENRKIJVYPJ-OZAIVSQSSA-N. The full InChI is InChI=1S/C24H32O2Si2/c1-24(2,3)28(20-13-9-7-10-14-20,21-15-11-8-12-16-21)25-19-23-22(26-23)17-18-27(4,5)6/h7-16,22-23H,19H2,1-6H3/t22?,23-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane has a molecular weight of 408.69 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 166437595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).