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

C26H36O2Si2 — CID 23240933

IUPACtert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](OCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O2Si2/c1-26(2,3)30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)27-20-13-18-24-25(28-24)19-21-29(4,5)6/h7-12,14-17,24-25H,13,18,20H2,1-6H3/t24-,25-/m1/s1
InChIKeyWBANXGGYFZWLKX-JWQCQUIFSA-N
MW436.74 g/mol
LogP4.99
Rot. Bonds7

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

tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane (PubChem CID 23240933) has the molecular formula C26H36O2Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
PubChem CID23240933
Molecular FormulaC26H36O2Si2
Molecular Weight436.74 g/mol
Exact Mass436.23
IUPAC Nametert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
SMILESCC(C)(C)[Si](OCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O2Si2/c1-26(2,3)30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)27-20-13-18-24-25(28-24)19-21-29(4,5)6/h7-12,14-17,24-25H,13,18,20H2,1-6H3/t24-,25-/m1/s1
InChIKeyWBANXGGYFZWLKX-JWQCQUIFSA-N
XLogP4.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane with MolForge

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Related Compounds

tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
CID 162511254
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane (CID 23240933) is tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane is CC(C)(C)[Si](OCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane?
The InChIKey is WBANXGGYFZWLKX-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H36O2Si2/c1-26(2,3)30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)27-20-13-18-24-25(28-24)19-21-29(4,5)6/h7-12,14-17,24-25H,13,18,20H2,1-6H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane?
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane has a molecular weight of 436.74 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane is sourced from PubChem (CID 23240933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).