3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C12H18O4Si — CID 139794088

IUPAC3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESC[Si](C)(C)OC(=O)C1C2C=CC(C2)C1C(=O)O
InChIInChI=1S/C12H18O4Si/c1-17(2,3)16-12(15)10-8-5-4-7(6-8)9(10)11(13)14/h4-5,7-10H,6H2,1-3H3,(H,13,14)
InChIKeyWNAVHZOWRWLZTK-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.89
Rot. Bonds3

About 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 139794088) has the molecular formula C12H18O4Si and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID139794088
Molecular FormulaC12H18O4Si
Molecular Weight254.36 g/mol
Exact Mass254.10
IUPAC Name3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESC[Si](C)(C)OC(=O)C1C2C=CC(C2)C1C(=O)O
InChIInChI=1S/C12H18O4Si/c1-17(2,3)16-12(15)10-8-5-4-7(6-8)9(10)11(13)14/h4-5,7-10H,6H2,1-3H3,(H,13,14)
InChIKeyWNAVHZOWRWLZTK-UHFFFAOYSA-N
XLogP1.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 139794088) is 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C[Si](C)(C)OC(=O)C1C2C=CC(C2)C1C(=O)O.
What is the InChIKey of 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is WNAVHZOWRWLZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4Si/c1-17(2,3)16-12(15)10-8-5-4-7(6-8)9(10)11(13)14/h4-5,7-10H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 254.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 139794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).