1-triethylsilyloxybutan-2-one

C10H22O2Si — CID 10965591

IUPAC1-triethylsilyloxybutan-2-one
SMILESCCC(=O)CO[Si](CC)(CC)CC
InChIInChI=1S/C10H22O2Si/c1-5-10(11)9-12-13(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyPEUFTBALHIZBCR-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds7

About 1-triethylsilyloxybutan-2-one

1-triethylsilyloxybutan-2-one (PubChem CID 10965591) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name1-triethylsilyloxybutan-2-one
PubChem CID10965591
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name1-triethylsilyloxybutan-2-one
SMILESCCC(=O)CO[Si](CC)(CC)CC
InChIInChI=1S/C10H22O2Si/c1-5-10(11)9-12-13(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyPEUFTBALHIZBCR-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
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

Acetoin, TMS derivative
CID 12739199
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
1-(tert-Butyldimethylsilyloxy)-2-propanone
CID 4124969
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
CID 11030898
(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
(2S)-2-triethylsilyloxypropanal
CID 11171468
1-[Tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 11310202
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

Frequently Asked Questions

What is the IUPAC name of 1-triethylsilyloxybutan-2-one?
The IUPAC name of 1-triethylsilyloxybutan-2-one (CID 10965591) is 1-triethylsilyloxybutan-2-one.
What is the SMILES notation for 1-triethylsilyloxybutan-2-one?
The canonical SMILES for 1-triethylsilyloxybutan-2-one is CCC(=O)CO[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilyloxybutan-2-one?
The InChIKey is PEUFTBALHIZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-10(11)9-12-13(6-2,7-3)8-4/h5-9H2,1-4H3.
What are the key properties of 1-triethylsilyloxybutan-2-one?
1-triethylsilyloxybutan-2-one has a molecular weight of 202.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilyloxybutan-2-one is sourced from PubChem (CID 10965591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).