ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate

C13H28O4Si — CID 71328885

IUPACethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate
SMILESCCOC(=O)C(OCC)(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-9-15-11(14)13(16-10-2,12(3,4)5)17-18(6,7)8/h9-10H2,1-8H3
InChIKeyVVDGUMJANSONAC-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate

ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate (PubChem CID 71328885) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate
PubChem CID71328885
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate
SMILESCCOC(=O)C(OCC)(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O4Si/c1-9-15-11(14)13(16-10-2,12(3,4)5)17-18(6,7)8/h9-10H2,1-8H3
InChIKeyVVDGUMJANSONAC-UHFFFAOYSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate 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 ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate?
The IUPAC name of ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate (CID 71328885) is ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate.
What is the SMILES notation for ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate?
The canonical SMILES for ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate is CCOC(=O)C(OCC)(O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate?
The InChIKey is VVDGUMJANSONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-9-15-11(14)13(16-10-2,12(3,4)5)17-18(6,7)8/h9-10H2,1-8H3.
What are the key properties of ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate?
ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate has a molecular weight of 276.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3,3-dimethyl-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 71328885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).