(3S)-3-methyl-4-triethylsilyloxybutan-2-one

C11H24O2Si — CID 23624325

IUPAC(3S)-3-methyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OC[C@H](C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyXYMMMADCACNKKM-JTQLQIEISA-N
MW216.40 g/mol
LogP3.23
Rot. Bonds7

About (3S)-3-methyl-4-triethylsilyloxybutan-2-one

(3S)-3-methyl-4-triethylsilyloxybutan-2-one (PubChem CID 23624325) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S)-3-methyl-4-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-triethylsilyloxybutan-2-one
PubChem CID23624325
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S)-3-methyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OC[C@H](C)C(C)=O
InChIInChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyXYMMMADCACNKKM-JTQLQIEISA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-triethylsilyloxybutan-2-one?
The IUPAC name of (3S)-3-methyl-4-triethylsilyloxybutan-2-one (CID 23624325) is (3S)-3-methyl-4-triethylsilyloxybutan-2-one.
What is the SMILES notation for (3S)-3-methyl-4-triethylsilyloxybutan-2-one?
The canonical SMILES for (3S)-3-methyl-4-triethylsilyloxybutan-2-one is CC[Si](CC)(CC)OC[C@H](C)C(C)=O.
What is the InChIKey of (3S)-3-methyl-4-triethylsilyloxybutan-2-one?
The InChIKey is XYMMMADCACNKKM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-14(7-2,8-3)13-9-10(4)11(5)12/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-4-triethylsilyloxybutan-2-one?
(3S)-3-methyl-4-triethylsilyloxybutan-2-one has a molecular weight of 216.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-triethylsilyloxybutan-2-one is sourced from PubChem (CID 23624325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).