methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

C24H46O2SiSn — CID 177429894

IUPACmethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)C/C1=C/[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H19O2Si.3C4H9.Sn/c1-9-6-10(12(13)14-2)7-11(9)8-15(3,4)5;3*1-3-4-2;/h1,8,10H,6-7H2,2-5H3;3*1,3-4H2,2H3;/b9-1?,11-8-;;;;
InChIKeyIXXOBYJFRSYLAE-WWFQHYBNSA-N
MW513.43 g/mol
LogP7.69
Rot. Bonds12

About methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate

methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (PubChem CID 177429894) has the molecular formula C24H46O2SiSn and a molecular weight of 513.43 g/mol. Its IUPAC name is methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
PubChem CID177429894
Molecular FormulaC24H46O2SiSn
Molecular Weight513.43 g/mol
Exact Mass514.23
IUPAC Namemethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
SMILESCCCC[Sn](/C=C1/CC(C(=O)OC)C/C1=C/[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H19O2Si.3C4H9.Sn/c1-9-6-10(12(13)14-2)7-11(9)8-15(3,4)5;3*1-3-4-2;/h1,8,10H,6-7H2,2-5H3;3*1,3-4H2,2H3;/b9-1?,11-8-;;;;
InChIKeyIXXOBYJFRSYLAE-WWFQHYBNSA-N
XLogP7.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate 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

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
Cyclopentanecarboxylic acid, 4,4-dimethyl-3-trimethylsilylmethylene-, methyl ester
CID 5368150
Methyl (4E)-2-methyl-4-[(trimethylsilyl)methylene]cyclopentanecarboxylate
CID 5368153
Cyclopentanecarboxylic acid, 2-methyl-4-(trimethylsilyl)methylene-, methyl ester, E,syn-
CID 5368154
dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
CID 10915542
methyl (3Z)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 13928497
methyl (2Z)-2-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10353146
methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate
CID 10566170
methyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
CID 10880040

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The IUPAC name of methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate (CID 177429894) is methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is CCCC[Sn](/C=C1/CC(C(=O)OC)C/C1=C/[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
The InChIKey is IXXOBYJFRSYLAE-WWFQHYBNSA-N. The full InChI is InChI=1S/C12H19O2Si.3C4H9.Sn/c1-9-6-10(12(13)14-2)7-11(9)8-15(3,4)5;3*1-3-4-2;/h1,8,10H,6-7H2,2-5H3;3*1,3-4H2,2H3;/b9-1?,11-8-;;;;.
What are the key properties of methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate?
methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate has a molecular weight of 513.43 g/mol, XLogP of 7.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 177429894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).