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

C15H26O4Si — CID 552561

IUPACdiethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-7-18-14(16)11-9-10(3)13(20(4,5)6)12(11)15(17)19-8-2/h11-13H,3,7-9H2,1-2,4-6H3
InChIKeyPGAFBRLWHXQHQI-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.01
Rot. Bonds5

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

diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (PubChem CID 552561) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
PubChem CID552561
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namediethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-7-18-14(16)11-9-10(3)13(20(4,5)6)12(11)15(17)19-8-2/h11-13H,3,7-9H2,1-2,4-6H3
InChIKeyPGAFBRLWHXQHQI-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.01
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

diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 929224
Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
CID 556160
Dimethyl 4-methylidenecyclopentane-1,2-dicarboxylate
CID 556606
Diethyl 4-ethylidene-cyclopentane-1,2-dicarboxylate
CID 564797
1,2-Cyclopentanedicarboxylic acid, 4-methylene-, dimethyl ester, trans-
CID 642644
trans-dimethyl (1S,2S)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 12537223
2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
Cyclopentanecarboxylic acid, 3-methylene-2-methoxymethyl-, methyl ester
CID 542462
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (CID 552561) is diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is C=C1CC(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C.
What is the InChIKey of diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The InChIKey is PGAFBRLWHXQHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-7-18-14(16)11-9-10(3)13(20(4,5)6)12(11)15(17)19-8-2/h11-13H,3,7-9H2,1-2,4-6H3.
What are the key properties of diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate has a molecular weight of 298.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 552561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).