[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane

C12H22O2Si — CID 100957890

IUPAC[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCOC12
InChIInChI=1S/C12H22O2Si/c1-13-8-10-11-9(6-5-7-14-11)12(10)15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyAHCRXWXEPZRBAD-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.62
Rot. Bonds3

About [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane

[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane (PubChem CID 100957890) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane.

Molecular Properties

Compound Name[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane
PubChem CID100957890
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane
SMILESCOCC1=C([Si](C)(C)C)C2CCCOC12
InChIInChI=1S/C12H22O2Si/c1-13-8-10-11-9(6-5-7-14-11)12(10)15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyAHCRXWXEPZRBAD-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
[Methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 15902808
[Methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 15902810
8-(Methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
CID 100957888
[1-Methoxy-8-(methoxymethyl)-7-bicyclo[4.2.0]oct-7-enyl]-trimethylsilane
CID 100960137
[(3R,4S)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
CID 100960140
[(3R,4R)-3-ethoxy-2-(methoxymethyl)-4-methylcyclobuten-1-yl]-trimethylsilane
CID 100960148
8-(Methoxymethyl)-7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-ene
CID 101051436

Frequently Asked Questions

What is the IUPAC name of [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane?
The IUPAC name of [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane (CID 100957890) is [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane.
What is the SMILES notation for [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane?
The canonical SMILES for [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane is COCC1=C([Si](C)(C)C)C2CCCOC12.
What is the InChIKey of [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane?
The InChIKey is AHCRXWXEPZRBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-13-8-10-11-9(6-5-7-14-11)12(10)15(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane?
[8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane has a molecular weight of 226.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-en-7-yl]-trimethylsilane is sourced from PubChem (CID 100957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).