2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate

C14H24O2Si — CID 23002963

IUPAC2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate
SMILESCC(C)(C(=O)OC1CC2C=CC1C2)[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-14(2,17(3,4)5)13(15)16-12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyJXZQDIJXKRNMCC-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.61
Rot. Bonds3

About 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate

2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate (PubChem CID 23002963) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate
PubChem CID23002963
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate
SMILESCC(C)(C(=O)OC1CC2C=CC1C2)[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-14(2,17(3,4)5)13(15)16-12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyJXZQDIJXKRNMCC-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.61
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 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate (CID 23002963) is 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate is CC(C)(C(=O)OC1CC2C=CC1C2)[Si](C)(C)C.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate?
The InChIKey is JXZQDIJXKRNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(2,17(3,4)5)13(15)16-12-9-10-6-7-11(12)8-10/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate?
2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate has a molecular weight of 252.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl 2-methyl-2-trimethylsilylpropanoate is sourced from PubChem (CID 23002963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).