trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane

C14H24O2Si2 — CID 66559681

IUPACtrimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane
SMILESC[Si](C)(C)C#CC1=CC2(O[Si](C)(C)C)OC2CC1
InChIInChI=1S/C14H24O2Si2/c1-17(2,3)10-9-12-7-8-13-14(11-12,15-13)16-18(4,5)6/h11,13H,7-8H2,1-6H3
InChIKeyJWOKTZLVEOZYHE-UHFFFAOYSA-N
MW280.52 g/mol
LogP3.53
Rot. Bonds2

About trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane

trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane (PubChem CID 66559681) has the molecular formula C14H24O2Si2 and a molecular weight of 280.52 g/mol. Its IUPAC name is trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane
PubChem CID66559681
Molecular FormulaC14H24O2Si2
Molecular Weight280.52 g/mol
Exact Mass280.13
IUPAC Nametrimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane
SMILESC[Si](C)(C)C#CC1=CC2(O[Si](C)(C)C)OC2CC1
InChIInChI=1S/C14H24O2Si2/c1-17(2,3)10-9-12-7-8-13-14(11-12,15-13)16-18(4,5)6/h11,13H,7-8H2,1-6H3
InChIKeyJWOKTZLVEOZYHE-UHFFFAOYSA-N
XLogP3.53
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane?
The IUPAC name of trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane (CID 66559681) is trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane?
The canonical SMILES for trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane is C[Si](C)(C)C#CC1=CC2(O[Si](C)(C)C)OC2CC1.
What is the InChIKey of trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane?
The InChIKey is JWOKTZLVEOZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si2/c1-17(2,3)10-9-12-7-8-13-14(11-12,15-13)16-18(4,5)6/h11,13H,7-8H2,1-6H3.
What are the key properties of trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane?
trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane has a molecular weight of 280.52 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[3-(2-trimethylsilylethynyl)-7-oxabicyclo[4.1.0]hept-2-en-1-yl]oxy]silane is sourced from PubChem (CID 66559681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).