(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane

C12H22O2Si — CID 154428055

IUPAC(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane
SMILESCCOC1CC2([SiH](CC)CC)C=CC1O2
InChIInChI=1S/C12H22O2Si/c1-4-13-11-9-12(15(5-2)6-3)8-7-10(11)14-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyBORPTBBFDYENNV-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.30
Rot. Bonds5

About (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane

(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane (PubChem CID 154428055) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane.

Molecular Properties

Compound Name(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane
PubChem CID154428055
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane
SMILESCCOC1CC2([SiH](CC)CC)C=CC1O2
InChIInChI=1S/C12H22O2Si/c1-4-13-11-9-12(15(5-2)6-3)8-7-10(11)14-12/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyBORPTBBFDYENNV-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane?
The IUPAC name of (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane (CID 154428055) is (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane.
What is the SMILES notation for (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane?
The canonical SMILES for (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane is CCOC1CC2([SiH](CC)CC)C=CC1O2.
What is the InChIKey of (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane?
The InChIKey is BORPTBBFDYENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-4-13-11-9-12(15(5-2)6-3)8-7-10(11)14-12/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane?
(5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane has a molecular weight of 226.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane is sourced from PubChem (CID 154428055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).