ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate

C17H24O4Si — CID 102035260

IUPACethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate
SMILESC=C(O[Si](C)(C)C)C(C(C)=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C17H24O4Si/c1-7-20-17(19)15-10-8-14(9-11-15)16(12(2)18)13(3)21-22(4,5)6/h8-11,16H,3,7H2,1-2,4-6H3
InChIKeyNBUHFRWKOWWURI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.90
Rot. Bonds7

About ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate

ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate (PubChem CID 102035260) has the molecular formula C17H24O4Si and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate
PubChem CID102035260
Molecular FormulaC17H24O4Si
Molecular Weight320.46 g/mol
Exact Mass320.14
IUPAC Nameethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate
SMILESC=C(O[Si](C)(C)C)C(C(C)=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C17H24O4Si/c1-7-20-17(19)15-10-8-14(9-11-15)16(12(2)18)13(3)21-22(4,5)6/h8-11,16H,3,7H2,1-2,4-6H3
InChIKeyNBUHFRWKOWWURI-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate?
The IUPAC name of ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate (CID 102035260) is ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate?
The canonical SMILES for ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate is C=C(O[Si](C)(C)C)C(C(C)=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate?
The InChIKey is NBUHFRWKOWWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4Si/c1-7-20-17(19)15-10-8-14(9-11-15)16(12(2)18)13(3)21-22(4,5)6/h8-11,16H,3,7H2,1-2,4-6H3.
What are the key properties of ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate?
ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate has a molecular weight of 320.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxo-2-trimethylsilyloxypent-1-en-3-yl)benzoate is sourced from PubChem (CID 102035260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).