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

C16H28O2Si — CID 23136042

IUPACtriethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](CC)(CC)CC)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-5-16(12-13-9-10-14(16)11-13)15(17)18-19(6-2,7-3)8-4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyNIWUTJRXFWDWPZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds6

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

triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23136042) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nametriethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23136042
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametriethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](CC)(CC)CC)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-5-16(12-13-9-10-14(16)11-13)15(17)18-19(6-2,7-3)8-4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKeyNIWUTJRXFWDWPZ-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.53
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 triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23136042) is triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(C(=O)O[Si](CC)(CC)CC)CC2C=CC1C2.
What is the InChIKey of triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is NIWUTJRXFWDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-5-16(12-13-9-10-14(16)11-13)15(17)18-19(6-2,7-3)8-4/h9-10,13-14H,5-8,11-12H2,1-4H3.
What are the key properties of triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 280.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23136042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).