dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

C16H26O6Si — CID 11210062

IUPACdimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(OCC)OCC
InChIInChI=1S/C16H26O6Si/c1-7-21-23(6,22-8-2)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-
InChIKeyXJSHQINPLQNALW-QBFSEMIESA-N
MW342.46 g/mol
LogP2.28
Rot. Bonds7

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

dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 11210062) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol. Its IUPAC name is dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID11210062
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Namedimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(OCC)OCC
InChIInChI=1S/C16H26O6Si/c1-7-21-23(6,22-8-2)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-
InChIKeyXJSHQINPLQNALW-QBFSEMIESA-N
XLogP2.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (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, 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
Dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
CID 102262881

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (CID 11210062) is dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C/C1=C/[Si](C)(OCC)OCC.
What is the InChIKey of dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is XJSHQINPLQNALW-QBFSEMIESA-N. The full InChI is InChI=1S/C16H26O6Si/c1-7-21-23(6,22-8-2)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 (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 342.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-3-[[diethoxy(methyl)silyl]methylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11210062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).