tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane

C16H30O2Si — CID 122202923

IUPACtert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-16-10-8-7-9-13(16)11-14(16)12-17-4/h11,13H,7-10,12H2,1-6H3/t13-,16+/m1/s1
InChIKeyMCHHSWSAAOAIQJ-CJNGLKHVSA-N
MW282.50 g/mol
LogP4.52
Rot. Bonds4

About tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane

tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (PubChem CID 122202923) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
PubChem CID122202923
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-16-10-8-7-9-13(16)11-14(16)12-17-4/h11,13H,7-10,12H2,1-6H3/t13-,16+/m1/s1
InChIKeyMCHHSWSAAOAIQJ-CJNGLKHVSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.52
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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Related Compounds

tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclohexyl]oxy-dimethylsilane
CID 12111606
Tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100957889
[1-Methoxy-8-(methoxymethyl)-7-bicyclo[4.2.0]oct-7-enyl]-trimethylsilane
CID 100960137
Tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100960141
tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane
CID 101270897
tert-butyl-dimethyl-[(E)-3-[(1S,2S)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
CID 102073169

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (CID 122202923) is tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is COCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The InChIKey is MCHHSWSAAOAIQJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(5,6)18-16-10-8-7-9-13(16)11-14(16)12-17-4/h11,13H,7-10,12H2,1-6H3/t13-,16+/m1/s1.
What are the key properties of tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 122202923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).