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

C16H28O2Si — CID 23136037

IUPAC[butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCCC[Si](C)(C)OC(=O)C1(CC)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-5-7-10-19(3,4)18-15(17)16(6-2)12-13-8-9-14(16)11-13/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyCVRIAGQLLMXVAP-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds6

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

[butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23136037) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23136037
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCCC[Si](C)(C)OC(=O)C1(CC)CC2C=CC1C2
InChIInChI=1S/C16H28O2Si/c1-5-7-10-19(3,4)18-15(17)16(6-2)12-13-8-9-14(16)11-13/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyCVRIAGQLLMXVAP-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'}

Analyze [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23136037) is [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCCC[Si](C)(C)OC(=O)C1(CC)CC2C=CC1C2.
What is the InChIKey of [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is CVRIAGQLLMXVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-5-7-10-19(3,4)18-15(17)16(6-2)12-13-8-9-14(16)11-13/h8-9,13-14H,5-7,10-12H2,1-4H3.
What are the key properties of [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
[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, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethyl)silyl] 2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23136037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).