trimethylsilyl 3-trimethylsilyloxypropanoate

C9H22O3Si2 — CID 521581

IUPACtrimethylsilyl 3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-13(2,3)11-8-7-9(10)12-14(4,5)6/h7-8H2,1-6H3
InChIKeyIHWRJZSKTAMEMR-UHFFFAOYSA-N
MW234.44 g/mol
LogP2.61
Rot. Bonds5

About trimethylsilyl 3-trimethylsilyloxypropanoate

trimethylsilyl 3-trimethylsilyloxypropanoate (PubChem CID 521581) has the molecular formula C9H22O3Si2 and a molecular weight of 234.44 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilyloxypropanoate
PubChem CID521581
Molecular FormulaC9H22O3Si2
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Nametrimethylsilyl 3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-13(2,3)11-8-7-9(10)12-14(4,5)6/h7-8H2,1-6H3
InChIKeyIHWRJZSKTAMEMR-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 3-trimethylsilyloxypropanoate 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 trimethylsilyl 3-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilyloxypropanoate (CID 521581) is trimethylsilyl 3-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilyloxypropanoate is C[Si](C)(C)OCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilyloxypropanoate?
The InChIKey is IHWRJZSKTAMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si2/c1-13(2,3)11-8-7-9(10)12-14(4,5)6/h7-8H2,1-6H3.
What are the key properties of trimethylsilyl 3-trimethylsilyloxypropanoate?
trimethylsilyl 3-trimethylsilyloxypropanoate has a molecular weight of 234.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilyloxypropanoate is sourced from PubChem (CID 521581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).