1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate

C10H20O4Si — CID 554490

IUPAC1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate
SMILESCCOC(=O)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-6-8(9(11)13-7-2)10(12)14-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyOLTMPYXTHGAZIN-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.95
Rot. Bonds5

About 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate

1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate (PubChem CID 554490) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate.

Molecular Properties

Compound Name1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate
PubChem CID554490
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate
SMILESCCOC(=O)C(CC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O4Si/c1-6-8(9(11)13-7-2)10(12)14-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyOLTMPYXTHGAZIN-UHFFFAOYSA-N
XLogP1.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.95
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 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The IUPAC name of 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate (CID 554490) is 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate.
What is the SMILES notation for 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The canonical SMILES for 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate is CCOC(=O)C(CC)C(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate?
The InChIKey is OLTMPYXTHGAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-6-8(9(11)13-7-2)10(12)14-15(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate?
1-O-ethyl 3-O-trimethylsilyl 2-ethylpropanedioate has a molecular weight of 232.35 g/mol, XLogP of 1.95, 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-trimethylsilyl 2-ethylpropanedioate is sourced from PubChem (CID 554490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).