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

C19H38O2Si2 — CID 100957889

IUPACtert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)23(8,9)21-19-13-11-10-12-15(19)17(22(5,6)7)16(19)14-20-4/h15H,10-14H2,1-9H3
InChIKeyAJMJWILVPQMNAH-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.77
Rot. Bonds5

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

tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (PubChem CID 100957889) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
PubChem CID100957889
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCCC12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-18(2,3)23(8,9)21-19-13-11-10-12-15(19)17(22(5,6)7)16(19)14-20-4/h15H,10-14H2,1-9H3
InChIKeyAJMJWILVPQMNAH-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane with MolForge

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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-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 100957902
[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
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
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-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane (CID 100957889) is tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is COCC1=C([Si](C)(C)C)C2CCCCC12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
The InChIKey is AJMJWILVPQMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-18(2,3)23(8,9)21-19-13-11-10-12-15(19)17(22(5,6)7)16(19)14-20-4/h15H,10-14H2,1-9H3.
What are the key properties of tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane?
tert-butyl-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 5.77, 5 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-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 100957889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).