tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane

C15H28O2Si — CID 10945458

IUPACtert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
SMILESC[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C15H28O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-14H,1-7H3/t10-,11+,12+,13-,14?
InChIKeyYOIRMNMIZWNKBW-PLADLKKGSA-N
MW268.47 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane (PubChem CID 10945458) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
PubChem CID10945458
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane
SMILESC[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C15H28O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-14H,1-7H3/t10-,11+,12+,13-,14?
InChIKeyYOIRMNMIZWNKBW-PLADLKKGSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 10080769
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
[(2S,5S)-5-cyclohexyl-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11736827
tert-butyl-[(1R,4S,5R)-4-methoxy-3,5-dimethylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 101901408
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane
CID 135084458
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
CID 102245486
Trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
CID 20649998
Tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane
CID 68631183

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane (CID 10945458) is tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane is C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane?
The InChIKey is YOIRMNMIZWNKBW-PLADLKKGSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-10-12-8-9-13(16-12)11(2)14(10)17-18(6,7)15(3,4)5/h8-14H,1-7H3/t10-,11+,12+,13-,14?.
What are the key properties of tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane has a molecular weight of 268.47 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10945458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).