diethyl 2-ethyl-2-trimethylsilylpropanedioate

C12H24O4Si — CID 552577

IUPACdiethyl 2-ethyl-2-trimethylsilylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-12(17(4,5)6,10(13)15-8-2)11(14)16-9-3/h7-9H2,1-6H3
InChIKeyHPMYXVJWBUSJEN-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.60
Rot. Bonds6

About diethyl 2-ethyl-2-trimethylsilylpropanedioate

diethyl 2-ethyl-2-trimethylsilylpropanedioate (PubChem CID 552577) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is diethyl 2-ethyl-2-trimethylsilylpropanedioate.

Molecular Properties

Compound Namediethyl 2-ethyl-2-trimethylsilylpropanedioate
PubChem CID552577
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Namediethyl 2-ethyl-2-trimethylsilylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-7-12(17(4,5)6,10(13)15-8-2)11(14)16-9-3/h7-9H2,1-6H3
InChIKeyHPMYXVJWBUSJEN-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethyl-2-trimethylsilylpropanedioate?
The IUPAC name of diethyl 2-ethyl-2-trimethylsilylpropanedioate (CID 552577) is diethyl 2-ethyl-2-trimethylsilylpropanedioate.
What is the SMILES notation for diethyl 2-ethyl-2-trimethylsilylpropanedioate?
The canonical SMILES for diethyl 2-ethyl-2-trimethylsilylpropanedioate is CCOC(=O)C(CC)(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl 2-ethyl-2-trimethylsilylpropanedioate?
The InChIKey is HPMYXVJWBUSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-7-12(17(4,5)6,10(13)15-8-2)11(14)16-9-3/h7-9H2,1-6H3.
What are the key properties of diethyl 2-ethyl-2-trimethylsilylpropanedioate?
diethyl 2-ethyl-2-trimethylsilylpropanedioate has a molecular weight of 260.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethyl-2-trimethylsilylpropanedioate is sourced from PubChem (CID 552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).