dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C17H30O5Si — CID 10020285

IUPACdimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(OCC(C)C)C1
InChIInChI=1S/C17H30O5Si/c1-12(2)10-22-14-9-17(15(18)20-3,16(19)21-4)8-13(14)11-23(5,6)7/h11-12,14H,8-10H2,1-7H3/b13-11+
InChIKeyFSCLDJSPJNNFFW-ACCUITESSA-N
MW342.51 g/mol
LogP2.96
Rot. Bonds6

About dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 10020285) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID10020285
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Namedimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(OCC(C)C)C1
InChIInChI=1S/C17H30O5Si/c1-12(2)10-22-14-9-17(15(18)20-3,16(19)21-4)8-13(14)11-23(5,6)7/h11-12,14H,8-10H2,1-7H3/b13-11+
InChIKeyFSCLDJSPJNNFFW-ACCUITESSA-N
XLogP2.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl (3R,4E)-3-[(1R)-2-acetyloxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4-benzylidenecyclopentane-1,1-dicarboxylate
CID 102469492
dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102076885
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
dimethyl 3-ethenylidene-4-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 102294627
dimethyl 3-acetyl-5-methylcyclohex-3-ene-1,1-dicarboxylate
CID 101465744
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
tetramethyl 1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 73407881
tetramethyl (8aS,8bS)-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate
CID 135054538
dimethyl 3-butyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 24973751

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 10020285) is dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(OCC(C)C)C1.
What is the InChIKey of dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is FSCLDJSPJNNFFW-ACCUITESSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-12(2)10-22-14-9-17(15(18)20-3,16(19)21-4)8-13(14)11-23(5,6)7/h11-12,14H,8-10H2,1-7H3/b13-11+.
What are the key properties of dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 342.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10020285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).