1-trimethylsilylbutan-1-one

C7H16OSi — CID 12519742

IUPAC1-trimethylsilylbutan-1-one
SMILESCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-5-6-7(8)9(2,3)4/h5-6H2,1-4H3
InChIKeyKCWDNSBTUCQERY-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.23
Rot. Bonds3

About 1-trimethylsilylbutan-1-one

1-trimethylsilylbutan-1-one (PubChem CID 12519742) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name1-trimethylsilylbutan-1-one
PubChem CID12519742
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name1-trimethylsilylbutan-1-one
SMILESCCCC(=O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-5-6-7(8)9(2,3)4/h5-6H2,1-4H3
InChIKeyKCWDNSBTUCQERY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-trimethylsilylbutan-1-one?
The IUPAC name of 1-trimethylsilylbutan-1-one (CID 12519742) is 1-trimethylsilylbutan-1-one.
What is the SMILES notation for 1-trimethylsilylbutan-1-one?
The canonical SMILES for 1-trimethylsilylbutan-1-one is CCCC(=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylbutan-1-one?
The InChIKey is KCWDNSBTUCQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-5-6-7(8)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-trimethylsilylbutan-1-one?
1-trimethylsilylbutan-1-one has a molecular weight of 144.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylbutan-1-one is sourced from PubChem (CID 12519742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).