tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane

C19H36O3Si2 — CID 11257174

IUPACtert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@@H]2C=C[C@@H](O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si2/c1-9-24(10-2,11-3)21-17-14-15-12-13-16(20-15)18(17)22-23(7,8)19(4,5)6/h12-16,18H,9-11H2,1-8H3/t15-,16+,18+/m0/s1
InChIKeyRRYRTBFSLAPWKZ-LZLYRXPVSA-N
MW368.67 g/mol
LogP5.62
Rot. Bonds7

About tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane (PubChem CID 11257174) has the molecular formula C19H36O3Si2 and a molecular weight of 368.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
PubChem CID11257174
Molecular FormulaC19H36O3Si2
Molecular Weight368.67 g/mol
Exact Mass368.22
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@@H]2C=C[C@@H](O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si2/c1-9-24(10-2,11-3)21-17-14-15-12-13-16(20-15)18(17)22-23(7,8)19(4,5)6/h12-16,18H,9-11H2,1-8H3/t15-,16+,18+/m0/s1
InChIKeyRRYRTBFSLAPWKZ-LZLYRXPVSA-N
XLogP5.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.67
LogP ≤ 55.62
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
[(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-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-[(1S)-1-(3-methoxy-2,5-dihydrofuran-2-yl)ethoxy]-dimethylsilane
CID 134836061
[(2R,3R)-2-ethenyl-3,6-dihydro-2H-pyran-3-yl]oxy-tris(trimethylsilyl)silane
CID 134850817
[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enoxy]-tris(trimethylsilyl)silane
CID 134850818
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
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930722
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
triethyl-[[(1R,5R)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]silane
CID 10657595
tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane
CID 11058108

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane (CID 11257174) is tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane is CC[Si](CC)(CC)OC1=C[C@@H]2C=C[C@@H](O2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane?
The InChIKey is RRYRTBFSLAPWKZ-LZLYRXPVSA-N. The full InChI is InChI=1S/C19H36O3Si2/c1-9-24(10-2,11-3)21-17-14-15-12-13-16(20-15)18(17)22-23(7,8)19(4,5)6/h12-16,18H,9-11H2,1-8H3/t15-,16+,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane has a molecular weight of 368.67 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane is sourced from PubChem (CID 11257174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).