tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane

C14H28O2Si2 — CID 10946011

IUPACtert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)[C@@H]1CO1
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-12(13-11-15-13)9-10-17(4,5)6/h12-13H,11H2,1-8H3/t12-,13+/m1/s1
InChIKeyPAOFSQICXLYYTG-OLZOCXBDSA-N
MW284.55 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane

tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane (PubChem CID 10946011) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
PubChem CID10946011
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Nametert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)[C@@H]1CO1
InChIInChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-12(13-11-15-13)9-10-17(4,5)6/h12-13H,11H2,1-8H3/t12-,13+/m1/s1
InChIKeyPAOFSQICXLYYTG-OLZOCXBDSA-N
XLogP3.66
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.66
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-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
CID 11628015
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(1R)-1-[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 122393367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane (CID 10946011) is tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane is CC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane?
The InChIKey is PAOFSQICXLYYTG-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-14(2,3)18(7,8)16-12(13-11-15-13)9-10-17(4,5)6/h12-13H,11H2,1-8H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane?
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane has a molecular weight of 284.55 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane is sourced from PubChem (CID 10946011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).