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

C14H22O4Si — CID 102377343

IUPACdimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C14H22O4Si/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6/h9H,1,7-8H2,2-6H3/b11-9+
InChIKeyDEFPLJVWPBSTQA-PKNBQFBNSA-N
MW282.41 g/mol
LogP2.47
Rot. Bonds3

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

dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102377343) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102377343
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Namedimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C14H22O4Si/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6/h9H,1,7-8H2,2-6H3/b11-9+
InChIKeyDEFPLJVWPBSTQA-PKNBQFBNSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.47
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

Dimethyl 3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11009242
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
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 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
CID 14271087
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 102377343) is dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C.
What is the InChIKey of dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is DEFPLJVWPBSTQA-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-10-7-14(12(15)17-2,13(16)18-3)8-11(10)9-19(4,5)6/h9H,1,7-8H2,2-6H3/b11-9+.
What are the key properties of dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.47, 3 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-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102377343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).