4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one

C12H26O2Si — CID 15142237

IUPAC4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
SMILESCC(=O)CCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)12(4,5)15(6,7)14-9-8-11(3)13/h10H,8-9H2,1-7H3
InChIKeyPWRMNNUEHLNGHW-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds6

About 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one

4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one (PubChem CID 15142237) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one.

Molecular Properties

Compound Name4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
PubChem CID15142237
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
SMILESCC(=O)CCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)12(4,5)15(6,7)14-9-8-11(3)13/h10H,8-9H2,1-7H3
InChIKeyPWRMNNUEHLNGHW-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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
3-Methyl-2-(triethylsilyloxymethyl)butanal
CID 10680995
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 11447832
(3S)-3-methyl-4-triethylsilyloxybutan-2-one
CID 23624325
(2R)-2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71351358
3-Methyl-2-butanone, 4-t-butyldimethylsilyloxy-
CID 594310
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 11368226
1-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
4-[(Trimethylsilyl)oxy]-3-{[(trimethylsilyl)oxy]methyl}butan-2-one
CID 91696516
2-Butanone, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-
CID 10965957
2-Butanone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methyl-, (3S)-
CID 11229680

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one?
The IUPAC name of 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one (CID 15142237) is 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one.
What is the SMILES notation for 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one?
The canonical SMILES for 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one is CC(=O)CCO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one?
The InChIKey is PWRMNNUEHLNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(2)12(4,5)15(6,7)14-9-8-11(3)13/h10H,8-9H2,1-7H3.
What are the key properties of 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one?
4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one is sourced from PubChem (CID 15142237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).