3-[dimethyl(propan-2-yloxy)silyl]butan-2-one

C9H20O2Si — CID 72740802

IUPAC3-[dimethyl(propan-2-yloxy)silyl]butan-2-one
SMILESCC(=O)C(C)[Si](C)(C)OC(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)11-12(5,6)9(4)8(3)10/h7,9H,1-6H3
InChIKeyLGTGTKNXUKYYSN-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds4

About 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one

3-[dimethyl(propan-2-yloxy)silyl]butan-2-one (PubChem CID 72740802) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one.

Molecular Properties

Compound Name3-[dimethyl(propan-2-yloxy)silyl]butan-2-one
PubChem CID72740802
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-[dimethyl(propan-2-yloxy)silyl]butan-2-one
SMILESCC(=O)C(C)[Si](C)(C)OC(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)11-12(5,6)9(4)8(3)10/h7,9H,1-6H3
InChIKeyLGTGTKNXUKYYSN-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetoin, TMS derivative
CID 12739199
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 10488938
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10822006
3-Pentanone, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2S)-
CID 11009378
4-Triethoxysilylbutan-2-one
CID 13879226
(2R)-2-{[tert-Butyl(dimethyl)silyl]oxy}pentan-3-one
CID 56590592
3-[Dimethyl(propan-2-yloxy)silyl]heptan-4-one
CID 72740800
3-[Dimethyl(propan-2-yloxy)silyl]pentan-2-one
CID 72740803
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-one
CID 134841249
2-[Dimethyl(propan-2-yloxy)silyl]hexan-3-one
CID 134890058
Silane, trimethyl[1-methyl-2-oxo-2-(trimethylsilyl)ethoxy]-, (R)-
CID 22214233

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one?
The IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one (CID 72740802) is 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one.
What is the SMILES notation for 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one?
The canonical SMILES for 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one is CC(=O)C(C)[Si](C)(C)OC(C)C.
What is the InChIKey of 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one?
The InChIKey is LGTGTKNXUKYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7(2)11-12(5,6)9(4)8(3)10/h7,9H,1-6H3.
What are the key properties of 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one?
3-[dimethyl(propan-2-yloxy)silyl]butan-2-one has a molecular weight of 188.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(propan-2-yloxy)silyl]butan-2-one is sourced from PubChem (CID 72740802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).