trimethylsilyl 4-oxohexanoate

C9H18O3Si — CID 91697206

IUPACtrimethylsilyl 4-oxohexanoate
SMILESCCC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-8(10)6-7-9(11)12-13(2,3)4/h5-7H2,1-4H3
InChIKeyHUVWTKOFDDLVQD-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.12
Rot. Bonds5

About trimethylsilyl 4-oxohexanoate

trimethylsilyl 4-oxohexanoate (PubChem CID 91697206) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is trimethylsilyl 4-oxohexanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-oxohexanoate
PubChem CID91697206
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Nametrimethylsilyl 4-oxohexanoate
SMILESCCC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-8(10)6-7-9(11)12-13(2,3)4/h5-7H2,1-4H3
InChIKeyHUVWTKOFDDLVQD-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 4-oxohexanoate 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 4-oxohexanoate?
The IUPAC name of trimethylsilyl 4-oxohexanoate (CID 91697206) is trimethylsilyl 4-oxohexanoate.
What is the SMILES notation for trimethylsilyl 4-oxohexanoate?
The canonical SMILES for trimethylsilyl 4-oxohexanoate is CCC(=O)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-oxohexanoate?
The InChIKey is HUVWTKOFDDLVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-8(10)6-7-9(11)12-13(2,3)4/h5-7H2,1-4H3.
What are the key properties of trimethylsilyl 4-oxohexanoate?
trimethylsilyl 4-oxohexanoate has a molecular weight of 202.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-oxohexanoate is sourced from PubChem (CID 91697206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).