ethyl 4-oxo-6-trimethylsilylhex-5-ynoate

C11H18O3Si — CID 10823142

IUPACethyl 4-oxo-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C11H18O3Si/c1-5-14-11(13)7-6-10(12)8-9-15(2,3)4/h5-7H2,1-4H3
InChIKeyKQKYSXDRQXTKTC-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.78
Rot. Bonds4

About ethyl 4-oxo-6-trimethylsilylhex-5-ynoate

ethyl 4-oxo-6-trimethylsilylhex-5-ynoate (PubChem CID 10823142) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is ethyl 4-oxo-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nameethyl 4-oxo-6-trimethylsilylhex-5-ynoate
PubChem CID10823142
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Nameethyl 4-oxo-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)CCC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C11H18O3Si/c1-5-14-11(13)7-6-10(12)8-9-15(2,3)4/h5-7H2,1-4H3
InChIKeyKQKYSXDRQXTKTC-UHFFFAOYSA-N
XLogP1.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The IUPAC name of ethyl 4-oxo-6-trimethylsilylhex-5-ynoate (CID 10823142) is ethyl 4-oxo-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for ethyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for ethyl 4-oxo-6-trimethylsilylhex-5-ynoate is CCOC(=O)CCC(=O)C#C[Si](C)(C)C.
What is the InChIKey of ethyl 4-oxo-6-trimethylsilylhex-5-ynoate?
The InChIKey is KQKYSXDRQXTKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-5-14-11(13)7-6-10(12)8-9-15(2,3)4/h5-7H2,1-4H3.
What are the key properties of ethyl 4-oxo-6-trimethylsilylhex-5-ynoate?
ethyl 4-oxo-6-trimethylsilylhex-5-ynoate has a molecular weight of 226.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 10823142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).