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

C15H24O4Si — CID 12972648

IUPACdimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)CC
InChIInChI=1S/C15H24O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h10H,2,7-9H2,1,3-6H3/b12-10+
InChIKeyBRDURGXOXNIIHG-ZRDIBKRKSA-N
MW296.44 g/mol
LogP2.86
Rot. Bonds4

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

dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 12972648) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID12972648
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namedimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)CC
InChIInChI=1S/C15H24O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h10H,2,7-9H2,1,3-6H3/b12-10+
InChIKeyBRDURGXOXNIIHG-ZRDIBKRKSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.86
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 (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (CID 12972648) is dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)CC.
What is the InChIKey of dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is BRDURGXOXNIIHG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-20(5,6)10-12-9-15(8-11(12)2,13(16)18-3)14(17)19-4/h10H,2,7-9H2,1,3-6H3/b12-10+.
What are the key properties of dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-3-[[ethyl(dimethyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 12972648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).