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

C26H48O4SiSn — CID 15977530

IUPACdimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H21O4Si.3C4H9.Sn/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6;3*1-3-4-2;/h1,9H,7-8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyVVNSHXUIIMTFMA-UHFFFAOYSA-N
MW571.46 g/mol
LogP7.23
Rot. Bonds13

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

dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 15977530) has the molecular formula C26H48O4SiSn and a molecular weight of 571.46 g/mol. Its IUPAC name is dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID15977530
Molecular FormulaC26H48O4SiSn
Molecular Weight571.46 g/mol
Exact Mass572.23
IUPAC Namedimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C14H21O4Si.3C4H9.Sn/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6;3*1-3-4-2;/h1,9H,7-8H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyVVNSHXUIIMTFMA-UHFFFAOYSA-N
XLogP7.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.46
LogP ≤ 57.23
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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Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 15977530) is dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CCCC[Sn](/C=C1/CC(C(=O)OC)(C(=O)OC)CC1=C[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is VVNSHXUIIMTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O4Si.3C4H9.Sn/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6;3*1-3-4-2;/h1,9H,7-8H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 571.46 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 15977530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).