tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane

C16H28O2Si2 — CID 11055960

IUPACtert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(C#C[Si](C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C16H28O2Si2/c1-16(2,3)20(7,8)18-13-11-12(14-15(13)17-14)9-10-19(4,5)6/h11,13-15H,1-8H3/t13-,14-,15+/m1/s1
InChIKeyGTNNMIHPJXSGDY-KFWWJZLASA-N
MW308.57 g/mol
LogP3.96
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane (PubChem CID 11055960) has the molecular formula C16H28O2Si2 and a molecular weight of 308.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
PubChem CID11055960
Molecular FormulaC16H28O2Si2
Molecular Weight308.57 g/mol
Exact Mass308.16
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(C#C[Si](C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C16H28O2Si2/c1-16(2,3)20(7,8)18-13-11-12(14-15(13)17-14)9-10-19(4,5)6/h11,13-15H,1-8H3/t13-,14-,15+/m1/s1
InChIKeyGTNNMIHPJXSGDY-KFWWJZLASA-N
XLogP3.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[[(1S,2R,5R,6R)-3-(3-methylbut-3-en-1-ynyl)-5-tri(propan-2-yl)silyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy]silane
CID 135067652
[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 10897010
tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane
CID 10869162
tert-butyl-dimethyl-[(1R)-2-(3-trimethylsilylprop-2-ynoxymethyl)cyclopent-2-en-1-yl]oxysilane
CID 10882321
[(8E,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 42616105
Trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane
CID 66559681
[(1S,8R)-3-methylidene-11-oxabicyclo[6.2.1]undec-9-en-5-yn-9-yl]oxy-tri(propan-2-yl)silane
CID 101785054
tert-butyl-[[(2R,5R)-5-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 101859187
tert-butyl-[[(2S,5R)-5-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 122380932

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane (CID 11055960) is tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(C#C[Si](C)(C)C)[C@H]2O[C@H]21.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
The InChIKey is GTNNMIHPJXSGDY-KFWWJZLASA-N. The full InChI is InChI=1S/C16H28O2Si2/c1-16(2,3)20(7,8)18-13-11-12(14-15(13)17-14)9-10-19(4,5)6/h11,13-15H,1-8H3/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane has a molecular weight of 308.57 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,5R)-4-(2-trimethylsilylethynyl)-6-oxabicyclo[3.1.0]hex-3-en-2-yl]oxy]silane is sourced from PubChem (CID 11055960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).