3,3-dimethyl-4-triethylsilyloxybutan-2-one

C12H26O2Si — CID 12008020

IUPAC3,3-dimethyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)(C)C(C)=O
InChIInChI=1S/C12H26O2Si/c1-7-15(8-2,9-3)14-10-12(5,6)11(4)13/h7-10H2,1-6H3
InChIKeyZGYPSVOSXVTXDJ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds7

About 3,3-dimethyl-4-triethylsilyloxybutan-2-one

3,3-dimethyl-4-triethylsilyloxybutan-2-one (PubChem CID 12008020) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3,3-dimethyl-4-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-triethylsilyloxybutan-2-one
PubChem CID12008020
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3,3-dimethyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)(C)C(C)=O
InChIInChI=1S/C12H26O2Si/c1-7-15(8-2,9-3)14-10-12(5,6)11(4)13/h7-10H2,1-6H3
InChIKeyZGYPSVOSXVTXDJ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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

4-[(tert-Butyldimethylsilyl)oxy]butan-2-one
CID 11030898
4-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 12098487
4-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
CID 15142237
(3S)-3-methyl-4-triethylsilyloxybutan-2-one
CID 23624325
3,3-Dimethyl-4-(t-butyldimethylsiloxy)-2-pentanone
CID 129677865
3-Methyl-2-butanone, 4-t-butyldimethylsilyloxy-
CID 594310
1-[Methoxy(dimethyl)silyl]-3,3-dimethyl-1-trimethylsilylbutan-2-one
CID 14640995
2,2,6,6,9,9-Hexamethyl-3,8-dioxa-2,9-disiladecan-5-one
CID 91696622
4-[(Trimethylsilyl)oxy]-3,3-bis{[(trimethylsilyl)oxy]methyl}butan-2-one
CID 91696713
2-Butanone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-, (3S)-
CID 11229680
4-[Methoxy(dimethyl)silyl]oxy-3,3-dimethylbutan-2-one
CID 57564626
4-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhexan-2-one
CID 85873143

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-triethylsilyloxybutan-2-one?
The IUPAC name of 3,3-dimethyl-4-triethylsilyloxybutan-2-one (CID 12008020) is 3,3-dimethyl-4-triethylsilyloxybutan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-triethylsilyloxybutan-2-one?
The canonical SMILES for 3,3-dimethyl-4-triethylsilyloxybutan-2-one is CC[Si](CC)(CC)OCC(C)(C)C(C)=O.
What is the InChIKey of 3,3-dimethyl-4-triethylsilyloxybutan-2-one?
The InChIKey is ZGYPSVOSXVTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-15(8-2,9-3)14-10-12(5,6)11(4)13/h7-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-4-triethylsilyloxybutan-2-one?
3,3-dimethyl-4-triethylsilyloxybutan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-triethylsilyloxybutan-2-one is sourced from PubChem (CID 12008020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).