ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate

C26H50O3SiSn — CID 15083410

IUPACethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC1(C(=O)OCC)CCCC1=O
InChIInChI=1S/C14H23O3Si.3C4H9.Sn/c1-5-17-13(16)14(9-6-8-12(14)15)10-7-11-18(2,3)4;3*1-3-4-2;/h11H,5-6,8-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyIIOQJIYAJOMZRJ-UHFFFAOYSA-N
MW557.48 g/mol
LogP7.87
Rot. Bonds15

About ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate

ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate (PubChem CID 15083410) has the molecular formula C26H50O3SiSn and a molecular weight of 557.48 g/mol. Its IUPAC name is ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
PubChem CID15083410
Molecular FormulaC26H50O3SiSn
Molecular Weight557.48 g/mol
Exact Mass558.26
IUPAC Nameethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC1(C(=O)OCC)CCCC1=O
InChIInChI=1S/C14H23O3Si.3C4H9.Sn/c1-5-17-13(16)14(9-6-8-12(14)15)10-7-11-18(2,3)4;3*1-3-4-2;/h11H,5-6,8-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyIIOQJIYAJOMZRJ-UHFFFAOYSA-N
XLogP7.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 57.87
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

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
ethyl 2-oxo-1-[(E)-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083415
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402
diethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 13866736
methyl (4Z)-1-acetyl-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10892226
diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11157704
trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
CID 11377122
diethyl (3E)-3-(tributylstannylmethylidene)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
CID 12981650
dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 15977530
diethyl (3Z)-3-(tributylstannylmethylidene)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
CID 23250065
ethyl 1-[(Z)-3-bromo-3-trimethylsilylprop-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 56647175

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate (CID 15083410) is ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate is CCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC1(C(=O)OCC)CCCC1=O.
What is the InChIKey of ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate?
The InChIKey is IIOQJIYAJOMZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3Si.3C4H9.Sn/c1-5-17-13(16)14(9-6-8-12(14)15)10-7-11-18(2,3)4;3*1-3-4-2;/h11H,5-6,8-10H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate?
ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate has a molecular weight of 557.48 g/mol, XLogP of 7.87, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 15083410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).