4-trimethylsilyloxybutan-2-one

C7H16O2Si — CID 15569866

IUPAC4-trimethylsilyloxybutan-2-one
SMILESCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-7(8)5-6-9-10(2,3)4/h5-6H2,1-4H3
InChIKeyILXMUGVCCHJJMS-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.82
Rot. Bonds4

About 4-trimethylsilyloxybutan-2-one

4-trimethylsilyloxybutan-2-one (PubChem CID 15569866) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 4-trimethylsilyloxybutan-2-one.

Molecular Properties

Compound Name4-trimethylsilyloxybutan-2-one
PubChem CID15569866
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Name4-trimethylsilyloxybutan-2-one
SMILESCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-7(8)5-6-9-10(2,3)4/h5-6H2,1-4H3
InChIKeyILXMUGVCCHJJMS-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-trimethylsilyloxybutan-2-one?
The IUPAC name of 4-trimethylsilyloxybutan-2-one (CID 15569866) is 4-trimethylsilyloxybutan-2-one.
What is the SMILES notation for 4-trimethylsilyloxybutan-2-one?
The canonical SMILES for 4-trimethylsilyloxybutan-2-one is CC(=O)CCO[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxybutan-2-one?
The InChIKey is ILXMUGVCCHJJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-7(8)5-6-9-10(2,3)4/h5-6H2,1-4H3.
What are the key properties of 4-trimethylsilyloxybutan-2-one?
4-trimethylsilyloxybutan-2-one has a molecular weight of 160.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxybutan-2-one is sourced from PubChem (CID 15569866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).