dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate

C29H54O4SiSn — CID 164686402

IUPACdimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H27O4Si.3C4H9.Sn/c1-12-9-17(14(18)20-5,15(19)21-6)10-13(12)11-22(7,8)16(2,3)4;3*1-3-4-2;/h1,11H,9-10H2,2-8H3;3*1,3-4H2,2H3;/b12-1?,13-11-;;;;
InChIKeyZFHQVJFMCRGQNS-LXRDSBTASA-N
MW613.54 g/mol
LogP8.40
Rot. Bonds13

About dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 164686402) has the molecular formula C29H54O4SiSn and a molecular weight of 613.54 g/mol. Its IUPAC name is dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID164686402
Molecular FormulaC29H54O4SiSn
Molecular Weight613.54 g/mol
Exact Mass614.28
IUPAC Namedimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H27O4Si.3C4H9.Sn/c1-12-9-17(14(18)20-5,15(19)21-6)10-13(12)11-22(7,8)16(2,3)4;3*1-3-4-2;/h1,11H,9-10H2,2-8H3;3*1,3-4H2,2H3;/b12-1?,13-11-;;;;
InChIKeyZFHQVJFMCRGQNS-LXRDSBTASA-N
XLogP8.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
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'}

Analyze dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (CID 164686402) is dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is CCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is ZFHQVJFMCRGQNS-LXRDSBTASA-N. The full InChI is InChI=1S/C17H27O4Si.3C4H9.Sn/c1-12-9-17(14(18)20-5,15(19)21-6)10-13(12)11-22(7,8)16(2,3)4;3*1-3-4-2;/h1,11H,9-10H2,2-8H3;3*1,3-4H2,2H3;/b12-1?,13-11-;;;;.
What are the key properties of dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 613.54 g/mol, XLogP of 8.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 164686402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).