4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one

C11H24O2Si — CID 594310

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one
SMILESCC(=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9H,8H2,1-7H3
InChIKeyWKUMUSZIWCTOJR-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one

4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one (PubChem CID 594310) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one
PubChem CID594310
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one
SMILESCC(=O)C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9H,8H2,1-7H3
InChIKeyWKUMUSZIWCTOJR-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.23
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
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 25198747
4-[(Trimethylsilyl)oxy]butan-2-one
CID 15569866
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-one
CID 11447832
4-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxybutan-2-one
CID 15142237
4-[Tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 15142243
(3S)-3-methyl-4-triethylsilyloxybutan-2-one
CID 23624325
(2R)-2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71351358
(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

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one (CID 594310) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one is CC(=O)C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one?
The InChIKey is WKUMUSZIWCTOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(10(2)12)8-13-14(6,7)11(3,4)5/h9H,8H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-one is sourced from PubChem (CID 594310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).