3-trimethylsilyloxybutan-2-one

C7H16O2Si — CID 12739199

IUPAC3-trimethylsilyloxybutan-2-one
SMILESCC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-6(8)7(2)9-10(3,4)5/h7H,1-5H3
InChIKeySCHPFYABZNRJOB-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.82
Rot. Bonds3

About 3-trimethylsilyloxybutan-2-one

3-trimethylsilyloxybutan-2-one (PubChem CID 12739199) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 3-trimethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3-trimethylsilyloxybutan-2-one
PubChem CID12739199
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Name3-trimethylsilyloxybutan-2-one
SMILESCC(=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C7H16O2Si/c1-6(8)7(2)9-10(3,4)5/h7H,1-5H3
InChIKeySCHPFYABZNRJOB-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-Propanone, 1-((trimethylsilyl)oxy)-
CID 176432
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
1-Trimethylsilyloxybutan-2-one
CID 183037
2-Fluoro-4-trimethylsilyloxypentan-3-one
CID 18740648
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
3-[Dimethyl(propan-2-yloxy)silyl]butan-2-one
CID 72740802
Trimethylsilyloxybutyraldehyde
CID 129782604
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 134841249
Silane, trimethyl[1-methyl-2-oxo-2-(trimethylsilyl)ethoxy]-, (R)-
CID 22214233

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxybutan-2-one?
The IUPAC name of 3-trimethylsilyloxybutan-2-one (CID 12739199) is 3-trimethylsilyloxybutan-2-one.
What is the SMILES notation for 3-trimethylsilyloxybutan-2-one?
The canonical SMILES for 3-trimethylsilyloxybutan-2-one is CC(=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxybutan-2-one?
The InChIKey is SCHPFYABZNRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-6(8)7(2)9-10(3,4)5/h7H,1-5H3.
What are the key properties of 3-trimethylsilyloxybutan-2-one?
3-trimethylsilyloxybutan-2-one has a molecular weight of 160.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxybutan-2-one is sourced from PubChem (CID 12739199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).