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

C23H40O4Sn — CID 10696681

IUPACdimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H13O4.3C4H9.Sn/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4;3*1-3-4-2;/h1H,2,5-6H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyGAWXPKOBPODMCW-UHFFFAOYSA-N
MW499.28 g/mol
LogP5.98
Rot. Bonds12

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

dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 10696681) has the molecular formula C23H40O4Sn and a molecular weight of 499.28 g/mol. Its IUPAC name is dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID10696681
Molecular FormulaC23H40O4Sn
Molecular Weight499.28 g/mol
Exact Mass500.19
IUPAC Namedimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H13O4.3C4H9.Sn/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4;3*1-3-4-2;/h1H,2,5-6H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyGAWXPKOBPODMCW-UHFFFAOYSA-N
XLogP5.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl (4Z)-3-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

Related Compounds

1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, diethyl ester
CID 11053770
Dimethyl 3-methylene-4-vinyl-1,1-cyclopentanedicarboxylate
CID 10537100
Dimethyl 3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11009242
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, diethyl ester
CID 11806372
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
1,1-Cyclopentanedicarboxylic acid, 3-methylene-, diethyl ester
CID 10889598
Diethyl 2-(3-methylbut-3-enyl)-2-(2-methylprop-2-enyl)propanedioate
CID 10850482
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, dimethyl ester
CID 10976447

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate (CID 10696681) is dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is GAWXPKOBPODMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4.3C4H9.Sn/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4;3*1-3-4-2;/h1H,2,5-6H2,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 499.28 g/mol, XLogP of 5.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10696681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).