1-tributylsilylethanone

C14H30OSi — CID 14785188

IUPAC1-tributylsilylethanone
SMILESCCCC[Si](CCCC)(CCCC)C(C)=O
InChIInChI=1S/C14H30OSi/c1-5-8-11-16(14(4)15,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyCNPOOOIVPPIDEG-UHFFFAOYSA-N
MW242.48 g/mol
LogP4.96
Rot. Bonds10

About 1-tributylsilylethanone

1-tributylsilylethanone (PubChem CID 14785188) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 1-tributylsilylethanone.

Molecular Properties

Compound Name1-tributylsilylethanone
PubChem CID14785188
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name1-tributylsilylethanone
SMILESCCCC[Si](CCCC)(CCCC)C(C)=O
InChIInChI=1S/C14H30OSi/c1-5-8-11-16(14(4)15,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyCNPOOOIVPPIDEG-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.96
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-tributylsilylethanone?
The IUPAC name of 1-tributylsilylethanone (CID 14785188) is 1-tributylsilylethanone.
What is the SMILES notation for 1-tributylsilylethanone?
The canonical SMILES for 1-tributylsilylethanone is CCCC[Si](CCCC)(CCCC)C(C)=O.
What is the InChIKey of 1-tributylsilylethanone?
The InChIKey is CNPOOOIVPPIDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-5-8-11-16(14(4)15,12-9-6-2)13-10-7-3/h5-13H2,1-4H3.
What are the key properties of 1-tributylsilylethanone?
1-tributylsilylethanone has a molecular weight of 242.48 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tributylsilylethanone is sourced from PubChem (CID 14785188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).