tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane

C21H32O3Si — CID 15019528

IUPACtert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
SMILESC[C@H](C#C[C@]1(C)O[C@@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H32O3Si/c1-17(24-25(6,7)20(2,3)4)13-14-21(5)19(23-21)16-22-15-18-11-9-8-10-12-18/h8-12,17,19H,15-16H2,1-7H3/t17-,19-,21+/m1/s1
InChIKeyZDVGVESEHHFADM-QFUCXCTJSA-N
MW360.57 g/mol
LogP4.77
Rot. Bonds6

About tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane (PubChem CID 15019528) has the molecular formula C21H32O3Si and a molecular weight of 360.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
PubChem CID15019528
Molecular FormulaC21H32O3Si
Molecular Weight360.57 g/mol
Exact Mass360.21
IUPAC Nametert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
SMILESC[C@H](C#C[C@]1(C)O[C@@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H32O3Si/c1-17(24-25(6,7)20(2,3)4)13-14-21(5)19(23-21)16-22-15-18-11-9-8-10-12-18/h8-12,17,19H,15-16H2,1-7H3/t17-,19-,21+/m1/s1
InChIKeyZDVGVESEHHFADM-QFUCXCTJSA-N
XLogP4.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
(6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentan-2-yl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile
CID 11155091
tert-butyl-[(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-phenylmethoxypentan-3-yl]oxy-dimethylsilane
CID 11080355
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
[(4R,5R)-5-[(5S)-5,7-bis(phenylmethoxy)hept-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134978275
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol
CID 11226216
[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pent-2-ynyl] but-3-enoate
CID 10865690

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane (CID 15019528) is tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane is C[C@H](C#C[C@]1(C)O[C@@H]1COCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane?
The InChIKey is ZDVGVESEHHFADM-QFUCXCTJSA-N. The full InChI is InChI=1S/C21H32O3Si/c1-17(24-25(6,7)20(2,3)4)13-14-21(5)19(23-21)16-22-15-18-11-9-8-10-12-18/h8-12,17,19H,15-16H2,1-7H3/t17-,19-,21+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane has a molecular weight of 360.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane is sourced from PubChem (CID 15019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).