ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate

C15H24O3Si — CID 10564736

IUPACethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@]12CC=C([Si](C)(C)C)[C@@H](CCC1)C2=O
InChIInChI=1S/C15H24O3Si/c1-5-18-14(17)15-9-6-7-11(13(15)16)12(8-10-15)19(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyFPVIBBMKIRIURO-IAQYHMDHSA-N
MW280.44 g/mol
LogP3.11
Rot. Bonds3

About ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate

ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate (PubChem CID 10564736) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate
PubChem CID10564736
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Nameethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@]12CC=C([Si](C)(C)C)[C@@H](CCC1)C2=O
InChIInChI=1S/C15H24O3Si/c1-5-18-14(17)15-9-6-7-11(13(15)16)12(8-10-15)19(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyFPVIBBMKIRIURO-IAQYHMDHSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate?
The IUPAC name of ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate (CID 10564736) is ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate?
The canonical SMILES for ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate is CCOC(=O)[C@@]12CC=C([Si](C)(C)C)[C@@H](CCC1)C2=O.
What is the InChIKey of ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate?
The InChIKey is FPVIBBMKIRIURO-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-5-18-14(17)15-9-6-7-11(13(15)16)12(8-10-15)19(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate?
ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate has a molecular weight of 280.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,5S)-9-oxo-4-trimethylsilylbicyclo[3.3.1]non-3-ene-1-carboxylate is sourced from PubChem (CID 10564736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).