[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C16H28O2Si — CID 23136027

IUPAC[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](C)(C)C(C)(C)C)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-7-16(11-12-8-9-13(16)10-12)14(17)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyHVMQNZULHKKJOA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate

[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23136027) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23136027
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(C(=O)O[Si](C)(C)C(C)(C)C)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-7-16(11-12-8-9-13(16)10-12)14(17)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyHVMQNZULHKKJOA-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23136027) is [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(C(=O)O[Si](C)(C)C(C)(C)C)CC2C=CC1C2.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is HVMQNZULHKKJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-7-16(11-12-8-9-13(16)10-12)14(17)18-19(5,6)15(2,3)4/h8-9,12-13H,7,10-11H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
[tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 280.48 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).