tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane

C26H54O3Si2 — CID 11248418

IUPACtert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
SMILESCC[C@H](/C=C(/C)[C@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O3Si2/c1-14-23(17-28-31(19(2)3,20(4)5)21(6)7)15-22(8)25(16-24-18-27-24)29-30(12,13)26(9,10)11/h15,19-21,23-25H,14,16-18H2,1-13H3/b22-15-/t23-,24-,25+/m1/s1
InChIKeyKUEDLKDTKXEHPA-QLLDFUIFSA-N
MW470.89 g/mol
LogP8.33
Rot. Bonds13

About tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane (PubChem CID 11248418) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
PubChem CID11248418
Molecular FormulaC26H54O3Si2
Molecular Weight470.89 g/mol
Exact Mass470.36
IUPAC Nametert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
SMILESCC[C@H](/C=C(/C)[C@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O3Si2/c1-14-23(17-28-31(19(2)3,20(4)5)21(6)7)15-22(8)25(16-24-18-27-24)29-30(12,13)26(9,10)11/h15,19-21,23-25H,14,16-18H2,1-13H3/b22-15-/t23-,24-,25+/m1/s1
InChIKeyKUEDLKDTKXEHPA-QLLDFUIFSA-N
XLogP8.33
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-(oxiran-2-yl)-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
CID 134878023
tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane;yttrium
CID 135035939
tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane
CID 10813708
tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane
CID 11221912
tert-butyl-[(E,1S,4R)-2,4-dimethyl-1-[(Z,2R)-3-trimethylsilyloxypent-3-en-2-yl]hept-2-enoxy]-dimethylsilane
CID 11258456
(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol
CID 11462450
tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane
CID 11513139
tert-butyl-[(E,2R,4R,5R,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-9-[(2S)-oxiran-2-yl]dec-6-en-2-yl]oxy-dimethylsilane
CID 53329192
tert-butyl-[3-[(6R)-2,2-dimethyl-3-(triethylsilyloxymethyl)-5,6-dihydrooxasilin-6-yl]propoxy]-dimethylsilane
CID 56970728
tert-butyl-[(5E,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoxy]-dimethylsilane
CID 132604938
tert-butyl-[(5E,7S,8S,9Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyltrideca-5,9,11-trienoxy]-dimethylsilane
CID 135035940
tert-butyl-[(5E,7S,8S,9Z,11E)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10-trimethyl-12-tributylstannyltrideca-5,9,11-trienoxy]-dimethylsilane
CID 177573859

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane (CID 11248418) is tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane is CC[C@H](/C=C(/C)[C@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane?
The InChIKey is KUEDLKDTKXEHPA-QLLDFUIFSA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-14-23(17-28-31(19(2)3,20(4)5)21(6)7)15-22(8)25(16-24-18-27-24)29-30(12,13)26(9,10)11/h15,19-21,23-25H,14,16-18H2,1-13H3/b22-15-/t23-,24-,25+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane has a molecular weight of 470.89 g/mol, XLogP of 8.33, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane is sourced from PubChem (CID 11248418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).