tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane

C18H36O3Si2 — CID 102014710

IUPACtert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19-13)16(15)21-23(9,10)18(4,5)6/h11-16H,1-10H3/t13-,14+,15+,16-
InChIKeyNDAGMUXZDZNXSP-SYMSYNOKSA-N
MW356.66 g/mol
LogP5.10
Rot. Bonds4

About tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane (PubChem CID 102014710) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
PubChem CID102014710
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Nametert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19-13)16(15)21-23(9,10)18(4,5)6/h11-16H,1-10H3/t13-,14+,15+,16-
InChIKeyNDAGMUXZDZNXSP-SYMSYNOKSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.10
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'}

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Related Compounds

tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
tert-butyl-[[(2R)-6-[[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134930747
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
CID 11257174

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane (CID 102014710) is tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?
The InChIKey is NDAGMUXZDZNXSP-SYMSYNOKSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-13-11-12-14(19-13)16(15)21-23(9,10)18(4,5)6/h11-16H,1-10H3/t13-,14+,15+,16-.
What are the key properties of tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane has a molecular weight of 356.66 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 102014710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).