tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane

C18H36O2Si2 — CID 100957902

IUPACtert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-17(2,3)22(8,9)20-18-12-10-11-14(18)16(21(5,6)7)15(18)13-19-4/h14H,10-13H2,1-9H3
InChIKeyWLLJHYYLWFRFGP-UHFFFAOYSA-N
MW340.66 g/mol
LogP5.38
Rot. Bonds5

About tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane

tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane (PubChem CID 100957902) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
PubChem CID100957902
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Nametert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-17(2,3)22(8,9)20-18-12-10-11-14(18)16(21(5,6)7)15(18)13-19-4/h14H,10-13H2,1-9H3
InChIKeyWLLJHYYLWFRFGP-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[(1S,5R)-7-(prop-2-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy]silane
CID 12111604
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
Tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100957889
Tert-butyl-[[7-(methoxymethyl)-6-methyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 100957903
[1-Methoxy-7-(methoxymethyl)-6-bicyclo[3.2.0]hept-6-enyl]-trimethylsilane
CID 100957904
1-Methoxy-7-(methoxymethyl)-6-methylbicyclo[3.2.0]hept-6-ene
CID 100957905
[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
CID 101270899
tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 101270902

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane (CID 100957902) is tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane is COCC1=C([Si](C)(C)C)C2CCCC12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
The InChIKey is WLLJHYYLWFRFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-17(2,3)22(8,9)20-18-12-10-11-14(18)16(21(5,6)7)15(18)13-19-4/h14H,10-13H2,1-9H3.
What are the key properties of tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane?
tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane has a molecular weight of 340.66 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 100957902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).