diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate

C17H30O4Si — CID 552786

IUPACdiethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1C([Si](C)(C)C)C(C(=O)OCC)C(C(=O)OCC)C1(C)C
InChIInChI=1S/C17H30O4Si/c1-9-20-15(18)12-13(16(19)21-10-2)17(4,5)11(3)14(12)22(6,7)8/h12-14H,3,9-10H2,1-2,4-8H3
InChIKeyAJGIVECSNSJBDI-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.65
Rot. Bonds5

About diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate

diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate (PubChem CID 552786) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
PubChem CID552786
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namediethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1C([Si](C)(C)C)C(C(=O)OCC)C(C(=O)OCC)C1(C)C
InChIInChI=1S/C17H30O4Si/c1-9-20-15(18)12-13(16(19)21-10-2)17(4,5)11(3)14(12)22(6,7)8/h12-14H,3,9-10H2,1-2,4-8H3
InChIKeyAJGIVECSNSJBDI-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
CID 134949863
diethyl (4S,5S)-7-methylidenespiro[2.4]heptane-4,5-dicarboxylate
CID 135072015
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
Cyclopentane-trans-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, diethyl ester
CID 552561
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
Cyclopentane-1,2-dicarboxylic acid, 4-(trimethylsilyl)methylene-, dimethyl ester, Z-
CID 560614
Diethyl 3-methyl-4-methylene-1,2-cyclopentanedicarboxylate
CID 564796
(E)-1,2-Cyclopentanedicarboxylic acid, 3-methyl-4-(trimethylsilylmethylene),-, diethyl ester
CID 5366456

Frequently Asked Questions

What is the IUPAC name of diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate (CID 552786) is diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate is C=C1C([Si](C)(C)C)C(C(=O)OCC)C(C(=O)OCC)C1(C)C.
What is the InChIKey of diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The InChIKey is AJGIVECSNSJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-9-20-15(18)12-13(16(19)21-10-2)17(4,5)11(3)14(12)22(6,7)8/h12-14H,3,9-10H2,1-2,4-8H3.
What are the key properties of diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate has a molecular weight of 326.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,3-dimethyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).