4,4-dimethyl-1-trimethylsilylpentan-2-one

C10H22OSi — CID 14272124

IUPAC4,4-dimethyl-1-trimethylsilylpentan-2-one
SMILESCC(C)(C)CC(=O)C[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-10(2,3)7-9(11)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyTZDNTRQVYKNRGW-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.33
Rot. Bonds3

About 4,4-dimethyl-1-trimethylsilylpentan-2-one

4,4-dimethyl-1-trimethylsilylpentan-2-one (PubChem CID 14272124) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilylpentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilylpentan-2-one
PubChem CID14272124
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name4,4-dimethyl-1-trimethylsilylpentan-2-one
SMILESCC(C)(C)CC(=O)C[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-10(2,3)7-9(11)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyTZDNTRQVYKNRGW-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1-trimethylsilylbutan-2-one
CID 13540822
4,4-Dimethyl-1-(trimethylsilyl)pentane-1,3-dione
CID 15515064
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
3,3-Dimethyl-1-triethylsilylbutan-2-one
CID 13540823
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
4-[Tert-butyl(dimethyl)silyl]-2,2-dimethylcyclobutan-1-one
CID 14451167
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
Di-t-butyl-silaketal
CID 129866721
(2S)-2-[dimethyl(2-methylpentan-2-yl)silyl]hexan-3-one
CID 134897153
2,2-Dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
CID 166438595
2,4-Dimethyl-1-trimethylsilylhexan-3-one
CID 14902795

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-trimethylsilylpentan-2-one?
The IUPAC name of 4,4-dimethyl-1-trimethylsilylpentan-2-one (CID 14272124) is 4,4-dimethyl-1-trimethylsilylpentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilylpentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilylpentan-2-one is CC(C)(C)CC(=O)C[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilylpentan-2-one?
The InChIKey is TZDNTRQVYKNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-10(2,3)7-9(11)8-12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilylpentan-2-one?
4,4-dimethyl-1-trimethylsilylpentan-2-one has a molecular weight of 186.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilylpentan-2-one is sourced from PubChem (CID 14272124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).