dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

C16H26O4Si — CID 12972644

IUPACdimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(CC)CC
InChIInChI=1S/C16H26O4Si/c1-7-21(6,8-2)11-13-10-16(9-12(13)3,14(17)19-4)15(18)20-5/h11H,3,7-10H2,1-2,4-6H3/b13-11+
InChIKeyDEWNWHCJMRLOGY-ACCUITESSA-N
MW310.47 g/mol
LogP3.25
Rot. Bonds5

About dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 12972644) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID12972644
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namedimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(CC)CC
InChIInChI=1S/C16H26O4Si/c1-7-21(6,8-2)11-13-10-16(9-12(13)3,14(17)19-4)15(18)20-5/h11H,3,7-10H2,1-2,4-6H3/b13-11+
InChIKeyDEWNWHCJMRLOGY-ACCUITESSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.25
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 (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-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

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 (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
1,1-Cyclopentanedicarboxylic acid, 3-methylene-, diethyl ester
CID 10889598
dimethyl (4Z)-3-methylidene-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10696681
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, dimethyl ester
CID 10976447
1,1-Cyclopentanedicarboxylic acid, 3,4-bis(methylene)-, diethyl ester
CID 11075489
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
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

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (CID 12972644) is dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(CC)CC.
What is the InChIKey of dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is DEWNWHCJMRLOGY-ACCUITESSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-21(6,8-2)11-13-10-16(9-12(13)3,14(17)19-4)15(18)20-5/h11H,3,7-10H2,1-2,4-6H3/b13-11+.
What are the key properties of dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-3-[[diethyl(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 12972644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).