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

C16H28O4Si — CID 101229217

IUPACdimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCC[Si](C)(C)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C16H28O4Si/c1-8-21(6,7)12(3)13-10-16(9-11(13)2,14(17)19-4)15(18)20-5/h11H,8-10H2,1-7H3/b13-12-
InChIKeyVJTRZTWDJSJKRV-SEYXRHQNSA-N
MW312.48 g/mol
LogP3.33
Rot. Bonds4

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

dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 101229217) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID101229217
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namedimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCC[Si](C)(C)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C
InChIInChI=1S/C16H28O4Si/c1-8-21(6,7)12(3)13-10-16(9-11(13)2,14(17)19-4)15(18)20-5/h11H,8-10H2,1-7H3/b13-12-
InChIKeyVJTRZTWDJSJKRV-SEYXRHQNSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.33
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-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (CID 101229217) is dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is CC[Si](C)(C)/C(C)=C1/CC(C(=O)OC)(C(=O)OC)CC1C.
What is the InChIKey of dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is VJTRZTWDJSJKRV-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-8-21(6,7)12(3)13-10-16(9-11(13)2,14(17)19-4)15(18)20-5/h11H,8-10H2,1-7H3/b13-12-.
What are the key properties of dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101229217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).