ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate

C14H23BrO3Si — CID 56647175

IUPACethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C/C=C(\Br)[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C14H23BrO3Si/c1-5-18-13(17)14(9-6-7-11(14)16)10-8-12(15)19(2,3)4/h8H,5-7,9-10H2,1-4H3/b12-8+
InChIKeyIENGPCVIHXAVOK-XYOKQWHBSA-N
MW347.33 g/mol
LogP3.84
Rot. Bonds5

About ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate

ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate (PubChem CID 56647175) has the molecular formula C14H23BrO3Si and a molecular weight of 347.33 g/mol. Its IUPAC name is ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate
PubChem CID56647175
Molecular FormulaC14H23BrO3Si
Molecular Weight347.33 g/mol
Exact Mass346.06
IUPAC Nameethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C/C=C(\Br)[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C14H23BrO3Si/c1-5-18-13(17)14(9-6-7-11(14)16)10-8-12(15)19(2,3)4/h8H,5-7,9-10H2,1-4H3/b12-8+
InChIKeyIENGPCVIHXAVOK-XYOKQWHBSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.84
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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Related Compounds

ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083410
ethyl 2-oxo-1-[(E)-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083415
ethyl 1-[(E)-3-bromo-2-methylprop-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 9971387

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate (CID 56647175) is ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate is CCOC(=O)C1(C/C=C(\Br)[Si](C)(C)C)CCCC1=O.
What is the InChIKey of ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate?
The InChIKey is IENGPCVIHXAVOK-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H23BrO3Si/c1-5-18-13(17)14(9-6-7-11(14)16)10-8-12(15)19(2,3)4/h8H,5-7,9-10H2,1-4H3/b12-8+.
What are the key properties of ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate?
ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 56647175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).