dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C17H28O4Si — CID 11045578

IUPACdimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](CC)(CC)CC
InChIInChI=1S/C17H28O4Si/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6/h12H,4,7-11H2,1-3,5-6H3/b14-12+
InChIKeyUYZFYPZEFDHVBA-WYMLVPIESA-N
MW324.49 g/mol
LogP3.64
Rot. Bonds6

About dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 11045578) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID11045578
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namedimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](CC)(CC)CC
InChIInChI=1S/C17H28O4Si/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6/h12H,4,7-11H2,1-3,5-6H3/b14-12+
InChIKeyUYZFYPZEFDHVBA-WYMLVPIESA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.64
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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Related Compounds

methyl (1R,4Z)-3-methylidene-1-phenyl-4-(triethylsilylmethylidene)cyclopentane-1-carboxylate
CID 101130874
dimethyl (4Z)-3-methylidene-4-prop-2-enylidenecyclopentane-1,1-dicarboxylate
CID 101269003
dimethyl (4Z)-3-methylidene-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]cyclopentane-1,1-dicarboxylate
CID 139038220
dimethyl (3E)-3-(1-acetyloxyethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 44551908
dimethyl 3-[[ethyl(dimethyl)silyl]methyl]-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 102245976
dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
CID 10913555
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl (3E)-3-[(2-methoxyphenyl)methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 177457802
dimethyl 3-methyl-4-propanoylcyclopent-3-ene-1,1-dicarboxylate
CID 102519943
dimethyl 3-methyl-4,5-dimethylidene-6,8-dihydro-1H-isochromene-7,7-dicarboxylate
CID 10565562
diethyl (3Z)-3-[(2-formylphenyl)methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102275271
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 11045578) is dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](CC)(CC)CC.
What is the InChIKey of dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is UYZFYPZEFDHVBA-WYMLVPIESA-N. The full InChI is InChI=1S/C17H28O4Si/c1-7-22(8-2,9-3)12-14-11-17(10-13(14)4,15(18)20-5)16(19)21-6/h12H,4,7-11H2,1-3,5-6H3/b14-12+.
What are the key properties of dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 324.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11045578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).