ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate

C20H32O3Si — CID 56647394

IUPACethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate
SMILESCCCCC#C/C(=C\CC1(C(=O)OCC)CCCC1=O)[Si](C)(C)C
InChIInChI=1S/C20H32O3Si/c1-6-8-9-10-12-17(24(3,4)5)14-16-20(19(22)23-7-2)15-11-13-18(20)21/h14H,6-9,11,13,15-16H2,1-5H3/b17-14+
InChIKeyKYGXEYBJWAWUIB-SAPNQHFASA-N
MW348.56 g/mol
LogP4.68
Rot. Bonds7

About ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate

ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate (PubChem CID 56647394) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate
PubChem CID56647394
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nameethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate
SMILESCCCCC#C/C(=C\CC1(C(=O)OCC)CCCC1=O)[Si](C)(C)C
InChIInChI=1S/C20H32O3Si/c1-6-8-9-10-12-17(24(3,4)5)14-16-20(19(22)23-7-2)15-11-13-18(20)21/h14H,6-9,11,13,15-16H2,1-5H3/b17-14+
InChIKeyKYGXEYBJWAWUIB-SAPNQHFASA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate (CID 56647394) is ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate is CCCCC#C/C(=C\CC1(C(=O)OCC)CCCC1=O)[Si](C)(C)C.
What is the InChIKey of ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate?
The InChIKey is KYGXEYBJWAWUIB-SAPNQHFASA-N. The full InChI is InChI=1S/C20H32O3Si/c1-6-8-9-10-12-17(24(3,4)5)14-16-20(19(22)23-7-2)15-11-13-18(20)21/h14H,6-9,11,13,15-16H2,1-5H3/b17-14+.
What are the key properties of ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate?
ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate has a molecular weight of 348.56 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-[(E)-3-trimethylsilylnon-2-en-4-ynyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 56647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).