2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate

C12H17Cl3O4Si — CID 59017051

IUPAC2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(=O)OCCOC(=O)C1CC2CC1C([Si](Cl)(Cl)Cl)C2
InChIInChI=1S/C12H17Cl3O4Si/c1-7(16)18-2-3-19-12(17)10-5-8-4-9(10)11(6-8)20(13,14)15/h8-11H,2-6H2,1H3
InChIKeyYUUPRXRXOKRRGI-UHFFFAOYSA-N
MW359.71 g/mol
LogP3.16
Rot. Bonds5

About 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate

2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59017051) has the molecular formula C12H17Cl3O4Si and a molecular weight of 359.71 g/mol. Its IUPAC name is 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59017051
Molecular FormulaC12H17Cl3O4Si
Molecular Weight359.71 g/mol
Exact Mass358.00
IUPAC Name2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(=O)OCCOC(=O)C1CC2CC1C([Si](Cl)(Cl)Cl)C2
InChIInChI=1S/C12H17Cl3O4Si/c1-7(16)18-2-3-19-12(17)10-5-8-4-9(10)11(6-8)20(13,14)15/h8-11H,2-6H2,1H3
InChIKeyYUUPRXRXOKRRGI-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate (CID 59017051) is 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate is CC(=O)OCCOC(=O)C1CC2CC1C([Si](Cl)(Cl)Cl)C2.
What is the InChIKey of 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is YUUPRXRXOKRRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3O4Si/c1-7(16)18-2-3-19-12(17)10-5-8-4-9(10)11(6-8)20(13,14)15/h8-11H,2-6H2,1H3.
What are the key properties of 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate?
2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 359.71 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 6-trichlorosilylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59017051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).