1-triethylsilylprop-2-yn-1-one

C9H16OSi — CID 87105517

IUPAC1-triethylsilylprop-2-yn-1-one
SMILESC#CC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C9H16OSi/c1-5-9(10)11(6-2,7-3)8-4/h1H,6-8H2,2-4H3
InChIKeySRDFMFWPUXZRHJ-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.24
Rot. Bonds4

About 1-triethylsilylprop-2-yn-1-one

1-triethylsilylprop-2-yn-1-one (PubChem CID 87105517) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 1-triethylsilylprop-2-yn-1-one.

Molecular Properties

Compound Name1-triethylsilylprop-2-yn-1-one
PubChem CID87105517
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name1-triethylsilylprop-2-yn-1-one
SMILESC#CC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C9H16OSi/c1-5-9(10)11(6-2,7-3)8-4/h1H,6-8H2,2-4H3
InChIKeySRDFMFWPUXZRHJ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-triethylsilylprop-2-yn-1-one 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 1-triethylsilylprop-2-yn-1-one?
The IUPAC name of 1-triethylsilylprop-2-yn-1-one (CID 87105517) is 1-triethylsilylprop-2-yn-1-one.
What is the SMILES notation for 1-triethylsilylprop-2-yn-1-one?
The canonical SMILES for 1-triethylsilylprop-2-yn-1-one is C#CC(=O)[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilylprop-2-yn-1-one?
The InChIKey is SRDFMFWPUXZRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-9(10)11(6-2,7-3)8-4/h1H,6-8H2,2-4H3.
What are the key properties of 1-triethylsilylprop-2-yn-1-one?
1-triethylsilylprop-2-yn-1-one has a molecular weight of 168.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilylprop-2-yn-1-one is sourced from PubChem (CID 87105517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).