1-triethylsilylethanone

C8H18OSi — CID 14400427

IUPAC1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(C)=O
InChIInChI=1S/C8H18OSi/c1-5-10(6-2,7-3)8(4)9/h5-7H2,1-4H3
InChIKeyDDUXYGXCOGALBF-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.62
Rot. Bonds4

About 1-triethylsilylethanone

1-triethylsilylethanone (PubChem CID 14400427) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 1-triethylsilylethanone.

Molecular Properties

Compound Name1-triethylsilylethanone
PubChem CID14400427
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(C)=O
InChIInChI=1S/C8H18OSi/c1-5-10(6-2,7-3)8(4)9/h5-7H2,1-4H3
InChIKeyDDUXYGXCOGALBF-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-triethylsilylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-1-triethylsilylethanone
CID 12033500
1-triethylsilylprop-2-en-1-one
CID 15723080
propane;propan-2-one
CID 90822370
1-triethylsilylpentane-1,3-dione
CID 101255809
1-triethylsilylpropan-2-one
CID 15033603
acetic acid;chloro-ethyl-dimethylsilane
CID 174390963
N-methyl-N-triethylsilylacetamide
CID 71358057
potassium;butane-2,3-dione;ethanamine;hydride
CID 173333875
ethenyl(triethyl)silane carbonate
CID 19812768
1-[acetyl(dimethyl)silyl]ethanone
CID 21286237
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935

Frequently Asked Questions

What is the IUPAC name of 1-triethylsilylethanone?
The IUPAC name of 1-triethylsilylethanone (CID 14400427) is 1-triethylsilylethanone.
What is the SMILES notation for 1-triethylsilylethanone?
The canonical SMILES for 1-triethylsilylethanone is CC[Si](CC)(CC)C(C)=O.
What is the InChIKey of 1-triethylsilylethanone?
The InChIKey is DDUXYGXCOGALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-5-10(6-2,7-3)8(4)9/h5-7H2,1-4H3.
What are the key properties of 1-triethylsilylethanone?
1-triethylsilylethanone has a molecular weight of 158.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilylethanone is sourced from PubChem (CID 14400427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).