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

C16H28O4Si — CID 552673

IUPACdiethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1C(C)C(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-8-19-15(17)12-10(3)11(4)14(21(5,6)7)13(12)16(18)20-9-2/h10,12-14H,4,8-9H2,1-3,5-7H3
InChIKeyBOVKUEYUEMJHLC-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.26
Rot. Bonds5

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

diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate (PubChem CID 552673) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
PubChem CID552673
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namediethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1C(C)C(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-8-19-15(17)12-10(3)11(4)14(21(5,6)7)13(12)16(18)20-9-2/h10,12-14H,4,8-9H2,1-3,5-7H3
InChIKeyBOVKUEYUEMJHLC-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate (CID 552673) is diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate is C=C1C(C)C(C(=O)OCC)C(C(=O)OCC)C1[Si](C)(C)C.
What is the InChIKey of diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
The InChIKey is BOVKUEYUEMJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-8-19-15(17)12-10(3)11(4)14(21(5,6)7)13(12)16(18)20-9-2/h10,12-14H,4,8-9H2,1-3,5-7H3.
What are the key properties of diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate?
diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate has a molecular weight of 312.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-4-methylidene-5-trimethylsilylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 552673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).