1-triethylsilylpropan-1-one

C9H20OSi — CID 12529246

IUPAC1-triethylsilylpropan-1-one
SMILESCCC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C9H20OSi/c1-5-9(10)11(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyQUWXIGYETGYQEL-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.01
Rot. Bonds5

About 1-triethylsilylpropan-1-one

1-triethylsilylpropan-1-one (PubChem CID 12529246) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-triethylsilylpropan-1-one.

Molecular Properties

Compound Name1-triethylsilylpropan-1-one
PubChem CID12529246
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-triethylsilylpropan-1-one
SMILESCCC(=O)[Si](CC)(CC)CC
InChIInChI=1S/C9H20OSi/c1-5-9(10)11(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyQUWXIGYETGYQEL-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-triethylsilylpropan-1-one?
The IUPAC name of 1-triethylsilylpropan-1-one (CID 12529246) is 1-triethylsilylpropan-1-one.
What is the SMILES notation for 1-triethylsilylpropan-1-one?
The canonical SMILES for 1-triethylsilylpropan-1-one is CCC(=O)[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilylpropan-1-one?
The InChIKey is QUWXIGYETGYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-5-9(10)11(6-2,7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 1-triethylsilylpropan-1-one?
1-triethylsilylpropan-1-one has a molecular weight of 172.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilylpropan-1-one is sourced from PubChem (CID 12529246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).