dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C29H54O4SiSn — CID 164686401

IUPACdimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C17H27O4Si.3C4H9.Sn/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6;3*1-3-4-2;/h4,12H,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/b13-4?,14-12-;;;;
InChIKeyVSZZEWHSQXSJCO-IGPSARDSSA-N
MW613.54 g/mol
LogP8.40
Rot. Bonds16

About dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 164686401) has the molecular formula C29H54O4SiSn and a molecular weight of 613.54 g/mol. Its IUPAC name is dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID164686401
Molecular FormulaC29H54O4SiSn
Molecular Weight613.54 g/mol
Exact Mass614.28
IUPAC Namedimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C17H27O4Si.3C4H9.Sn/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6;3*1-3-4-2;/h4,12H,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/b13-4?,14-12-;;;;
InChIKeyVSZZEWHSQXSJCO-IGPSARDSSA-N
XLogP8.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.54
LogP ≤ 58.40
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

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 (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10696681
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
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
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
Dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
CID 102262881
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 164686401) is dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](CC)(CC)CC)(CCCC)CCCC.
What is the InChIKey of dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is VSZZEWHSQXSJCO-IGPSARDSSA-N. The full InChI is InChI=1S/C17H27O4Si.3C4H9.Sn/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6;3*1-3-4-2;/h4,12H,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/b13-4?,14-12-;;;;.
What are the key properties of dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 613.54 g/mol, XLogP of 8.40, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 164686401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).