tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane

C22H44O3Si2 — CID 11133412

IUPACtert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-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\CCC[C@@H]1O2
InChIInChI=1S/C22H44O3Si2/c1-21(2,3)26(7,8)24-19-17-15-13-11-12-14-16-18(23-17)20(19)25-27(9,10)22(4,5)6/h11,13,17-20H,12,14-16H2,1-10H3/b13-11-/t17-,18+,19-,20-/m1/s1
InChIKeyKYVBYAOSKBCNBG-RUBXQLJRSA-N
MW412.76 g/mol
LogP6.66
Rot. Bonds4

About tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane (PubChem CID 11133412) has the molecular formula C22H44O3Si2 and a molecular weight of 412.76 g/mol. Its IUPAC name is tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane
PubChem CID11133412
Molecular FormulaC22H44O3Si2
Molecular Weight412.76 g/mol
Exact Mass412.28
IUPAC Nametert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-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\CCC[C@@H]1O2
InChIInChI=1S/C22H44O3Si2/c1-21(2,3)26(7,8)24-19-17-15-13-11-12-14-16-18(23-17)20(19)25-27(9,10)22(4,5)6/h11,13,17-20H,12,14-16H2,1-10H3/b13-11-/t17-,18+,19-,20-/m1/s1
InChIKeyKYVBYAOSKBCNBG-RUBXQLJRSA-N
XLogP6.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.76
LogP ≤ 56.66
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

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tert-butyl-[[(1S,3Z,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
CID 10982230
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 11048463
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(prop-2-enyl)oxolan-3-yl]oxy-dimethylsilane
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tert-butyl-[(Z)-11-(2-hexyl-1,3-dioxolan-2-yl)undec-9-enoxy]-dimethylsilane
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tert-butyl-[[(1S,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-oxabicyclo[4.2.1]non-3-en-7-yl]oxy]-dimethylsilane
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triethyl-[(1R,2E)-5-methyl-1-[(2R,5R)-5-(2-triethylsilyloxyethyl)oxolan-2-yl]hexa-2,4-dienoxy]silane
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tert-butyl-[[(1R,3Z,7S,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxabicyclo[5.2.1]dec-3-en-8-yl]oxy]-dimethylsilane
CID 11732085
tert-butyl-dimethyl-[(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]pentoxy]silane
CID 11738486
[(2S,3R,4R,5R)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11761729

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane (CID 11133412) is tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-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\CCC[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane?
The InChIKey is KYVBYAOSKBCNBG-RUBXQLJRSA-N. The full InChI is InChI=1S/C22H44O3Si2/c1-21(2,3)26(7,8)24-19-17-15-13-11-12-14-16-18(23-17)20(19)25-27(9,10)22(4,5)6/h11,13,17-20H,12,14-16H2,1-10H3/b13-11-/t17-,18+,19-,20-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane has a molecular weight of 412.76 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3Z,8S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-11-oxabicyclo[6.2.1]undec-3-en-9-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11133412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).