4-trimethylsilylbutan-2-one

C7H16OSi — CID 13407685

IUPAC4-trimethylsilylbutan-2-one
SMILESCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-6H2,1-4H3
InChIKeyYGRIAGFGPDBPCM-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.30
Rot. Bonds3

About 4-trimethylsilylbutan-2-one

4-trimethylsilylbutan-2-one (PubChem CID 13407685) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 4-trimethylsilylbutan-2-one.

Molecular Properties

Compound Name4-trimethylsilylbutan-2-one
PubChem CID13407685
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name4-trimethylsilylbutan-2-one
SMILESCC(=O)CC[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-6H2,1-4H3
InChIKeyYGRIAGFGPDBPCM-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 52.30
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 4-trimethylsilylbutan-2-one?
The IUPAC name of 4-trimethylsilylbutan-2-one (CID 13407685) is 4-trimethylsilylbutan-2-one.
What is the SMILES notation for 4-trimethylsilylbutan-2-one?
The canonical SMILES for 4-trimethylsilylbutan-2-one is CC(=O)CC[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylbutan-2-one?
The InChIKey is YGRIAGFGPDBPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-7(8)5-6-9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 4-trimethylsilylbutan-2-one?
4-trimethylsilylbutan-2-one has a molecular weight of 144.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbutan-2-one is sourced from PubChem (CID 13407685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).