diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C28H54O4SiSn — CID 11157704

IUPACdiethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C16H27O4Si.3C4H9.Sn/c1-7-19-14(17)16(15(18)20-8-2)9-12(3)13(10-16)11-21(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/b13-11-;;;;
InChIKeyYNHLGCRNOMGSRY-BCMRZJNPSA-N
MW601.53 g/mol
LogP8.16
Rot. Bonds16

About diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 11157704) has the molecular formula C28H54O4SiSn and a molecular weight of 601.53 g/mol. Its IUPAC name is diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID11157704
Molecular FormulaC28H54O4SiSn
Molecular Weight601.53 g/mol
Exact Mass602.28
IUPAC Namediethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C16H27O4Si.3C4H9.Sn/c1-7-19-14(17)16(15(18)20-8-2)9-12(3)13(10-16)11-21(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/b13-11-;;;;
InChIKeyYNHLGCRNOMGSRY-BCMRZJNPSA-N
XLogP8.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.53
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, diethyl ester
CID 11053770
Diethyl 3-methylene-4-vinylcyclopentane-1,1-dicarboxylate
CID 11776993
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl (4Z)-3-ethenyl-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 176421935
dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
ethyl 2-oxo-1-[(Z)-2-tributylstannyl-3-trimethylsilylprop-2-enyl]cyclopentane-1-carboxylate
CID 15083410
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 11157704) is diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CCCC[Sn](CCCC)(CCCC)CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/[Si](C)(C)C.
What is the InChIKey of diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is YNHLGCRNOMGSRY-BCMRZJNPSA-N. The full InChI is InChI=1S/C16H27O4Si.3C4H9.Sn/c1-7-19-14(17)16(15(18)20-8-2)9-12(3)13(10-16)11-21(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/b13-11-;;;;.
What are the key properties of diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 601.53 g/mol, XLogP of 8.16, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4Z)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11157704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).