dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate

C17H30O4Si — CID 101229218

IUPACdimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCC[Si](C)(CC)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C17H30O4Si/c1-8-22(7,9-2)13(4)14-11-17(10-12(14)3,15(18)20-5)16(19)21-6/h12H,8-11H2,1-7H3/b14-13-
InChIKeyOEXQGTHRYIGKPG-YPKPFQOOSA-N
MW326.51 g/mol
LogP3.72
Rot. Bonds5

About dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate

dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 101229218) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID101229218
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namedimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCC[Si](C)(CC)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C17H30O4Si/c1-8-22(7,9-2)13(4)14-11-17(10-12(14)3,15(18)20-5)16(19)21-6/h12H,8-11H2,1-7H3/b14-13-
InChIKeyOEXQGTHRYIGKPG-YPKPFQOOSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.72
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

Diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 50901532
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
diethyl (3E)-3-ethylidene-4-propa-1,2-dienylcyclopentane-1,1-dicarboxylate
CID 10923888
Dimethyl 3-(cyclohexylidenemethyl)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11044544
Dimethyl 3-methylidene-4-(2-methylprop-1-enyl)cyclopentane-1,1-dicarboxylate
CID 11242197
dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
Dimethyl 7-methyl-5-propan-2-yl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 11818651
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (CID 101229218) is dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is CC[Si](C)(CC)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C.
What is the InChIKey of dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is OEXQGTHRYIGKPG-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-22(7,9-2)13(4)14-11-17(10-12(14)3,15(18)20-5)16(19)21-6/h12H,8-11H2,1-7H3/b14-13-.
What are the key properties of dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 326.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-3-[1-[diethyl(methyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101229218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).