trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C13H22O2Si — CID 23136040

IUPACtrimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](C)(C)C)CC2C=CC1C2
InChIInChI=1S/C13H22O2Si/c1-5-13(12(14)15-16(2,3)4)9-10-6-7-11(13)8-10/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyXQWHILFGSYSNOV-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.36
Rot. Bonds3

About trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate

trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23136040) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23136040
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nametrimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](C)(C)C)CC2C=CC1C2
InChIInChI=1S/C13H22O2Si/c1-5-13(12(14)15-16(2,3)4)9-10-6-7-11(13)8-10/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyXQWHILFGSYSNOV-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.36
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 trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23136040) is trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(C(=O)O[Si](C)(C)C)CC2C=CC1C2.
What is the InChIKey of trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is XQWHILFGSYSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-13(12(14)15-16(2,3)4)9-10-6-7-11(13)8-10/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 238.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23136040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).