1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate

C11H22O4Si — CID 552383

IUPAC1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-11(9(12)14-3,16(4,5)6)10(13)15-8-2/h7-8H2,1-6H3
InChIKeyDVJDLMHQDHYGNF-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.21
Rot. Bonds5

About 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate

1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate (PubChem CID 552383) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate.

Molecular Properties

Compound Name1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate
PubChem CID552383
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-11(9(12)14-3,16(4,5)6)10(13)15-8-2/h7-8H2,1-6H3
InChIKeyDVJDLMHQDHYGNF-UHFFFAOYSA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.21
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'}

Analyze 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate?
The IUPAC name of 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate (CID 552383) is 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate.
What is the SMILES notation for 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate?
The canonical SMILES for 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate is CCOC(=O)C(CC)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate?
The InChIKey is DVJDLMHQDHYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-7-11(9(12)14-3,16(4,5)6)10(13)15-8-2/h7-8H2,1-6H3.
What are the key properties of 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate?
1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate has a molecular weight of 246.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 3-O-methyl 2-ethyl-2-trimethylsilylpropanedioate is sourced from PubChem (CID 552383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).