tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane

C17H32O2Si — CID 100960141

IUPACtert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C(C)C2CCCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-13-14-10-8-9-11-17(14,15(13)12-18-5)19-20(6,7)16(2,3)4/h14H,8-12H2,1-7H3
InChIKeyADWFCTPPWMMZCF-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.91
Rot. Bonds4

About tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane

tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (PubChem CID 100960141) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
PubChem CID100960141
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C(C)C2CCCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-13-14-10-8-9-11-17(14,15(13)12-18-5)19-20(6,7)16(2,3)4/h14H,8-12H2,1-7H3
InChIKeyADWFCTPPWMMZCF-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.91
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
1-Methoxy-8-(methoxymethyl)-7-methylbicyclo[4.2.0]oct-7-ene
CID 100960138
1-Methoxy-8-(methoxymethyl)-7-propan-2-ylbicyclo[4.2.0]oct-7-ene
CID 100960139
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
tert-butyl-[[(1S,6R)-8-(methoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 122202923

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (CID 100960141) is tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is COCC1=C(C)C2CCCCC12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The InChIKey is ADWFCTPPWMMZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13-14-10-8-9-11-17(14,15(13)12-18-5)19-20(6,7)16(2,3)4/h14H,8-12H2,1-7H3.
What are the key properties of tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 100960141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).