4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate

C10H17O5Si- — CID 71338744

IUPAC4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate
SMILESC[Si](C)(C)CCOC(=O)C(=O)CCC(=O)[O-]
InChIInChI=1S/C10H18O5Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h4-7H2,1-3H3,(H,12,13)/p-1
InChIKeyDIQXQKRYVGZEPU-UHFFFAOYSA-M
MW245.33 g/mol
LogP-0.03
Rot. Bonds7

About 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate

4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate (PubChem CID 71338744) has the molecular formula C10H17O5Si- and a molecular weight of 245.33 g/mol. Its IUPAC name is 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate.

Molecular Properties

Compound Name4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate
PubChem CID71338744
Molecular FormulaC10H17O5Si-
Molecular Weight245.33 g/mol
Exact Mass245.09
IUPAC Name4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate
SMILESC[Si](C)(C)CCOC(=O)C(=O)CCC(=O)[O-]
InChIInChI=1S/C10H18O5Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h4-7H2,1-3H3,(H,12,13)/p-1
InChIKeyDIQXQKRYVGZEPU-UHFFFAOYSA-M
XLogP-0.03
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate 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 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate?
The IUPAC name of 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate (CID 71338744) is 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate.
What is the SMILES notation for 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate?
The canonical SMILES for 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate is C[Si](C)(C)CCOC(=O)C(=O)CCC(=O)[O-].
What is the InChIKey of 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate?
The InChIKey is DIQXQKRYVGZEPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O5Si/c1-16(2,3)7-6-15-10(14)8(11)4-5-9(12)13/h4-7H2,1-3H3,(H,12,13)/p-1.
What are the key properties of 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate?
4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate has a molecular weight of 245.33 g/mol, XLogP of -0.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dioxo-5-(2-trimethylsilylethoxy)pentanoate is sourced from PubChem (CID 71338744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).