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

C14H24O2Si — CID 23136036

IUPAC[butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCCC[Si](C)(C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H24O2Si/c1-4-5-8-17(2,3)16-14(15)13-10-11-6-7-12(13)9-11/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyCOBCQGHPMOXLIC-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.75
Rot. Bonds5

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

[butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 23136036) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID23136036
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name[butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCCC[Si](C)(C)OC(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H24O2Si/c1-4-5-8-17(2,3)16-14(15)13-10-11-6-7-12(13)9-11/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyCOBCQGHPMOXLIC-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.75
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 [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 23136036) is [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCCC[Si](C)(C)OC(=O)C1CC2C=CC1C2.
What is the InChIKey of [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is COBCQGHPMOXLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-4-5-8-17(2,3)16-14(15)13-10-11-6-7-12(13)9-11/h6-7,11-13H,4-5,8-10H2,1-3H3.
What are the key properties of [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
[butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 252.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 23136036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).