4-methyl-4-trimethylsilylpentan-2-one

C9H20OSi — CID 12736439

IUPAC4-methyl-4-trimethylsilylpentan-2-one
SMILESCC(=O)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(10)7-9(2,3)11(4,5)6/h7H2,1-6H3
InChIKeyZWLFWORWJNUOFM-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-4-trimethylsilylpentan-2-one

4-methyl-4-trimethylsilylpentan-2-one (PubChem CID 12736439) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-methyl-4-trimethylsilylpentan-2-one.

Molecular Properties

Compound Name4-methyl-4-trimethylsilylpentan-2-one
PubChem CID12736439
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-methyl-4-trimethylsilylpentan-2-one
SMILESCC(=O)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-8(10)7-9(2,3)11(4,5)6/h7H2,1-6H3
InChIKeyZWLFWORWJNUOFM-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
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

6-Trimethylsilylhexan-4-one
CID 14112750
3-[(Trimethylsilyl)methyl]cyclobutan-1-one
CID 130032031
1-Trimethylsilylpentan-2-one
CID 12457306
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
4,4-Dimethyl-1-(trimethylsilyl)pentane-1,3-dione
CID 15515064
Butyldimethylsilylpentadione
CID 87854103
1-Cyclopropyl-2-trimethylsilylethanone
CID 91510198
5-(Trimethylsilyl)-2-pentanone
CID 575386
(5S)-5-trimethylsilylhexan-3-one
CID 11041187
(2R)-2-[tert-butyl(dimethyl)silyl]pentan-3-one
CID 11745677
2-Trimethylsilylpentan-3-one
CID 12465007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-trimethylsilylpentan-2-one?
The IUPAC name of 4-methyl-4-trimethylsilylpentan-2-one (CID 12736439) is 4-methyl-4-trimethylsilylpentan-2-one.
What is the SMILES notation for 4-methyl-4-trimethylsilylpentan-2-one?
The canonical SMILES for 4-methyl-4-trimethylsilylpentan-2-one is CC(=O)CC(C)(C)[Si](C)(C)C.
What is the InChIKey of 4-methyl-4-trimethylsilylpentan-2-one?
The InChIKey is ZWLFWORWJNUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-8(10)7-9(2,3)11(4,5)6/h7H2,1-6H3.
What are the key properties of 4-methyl-4-trimethylsilylpentan-2-one?
4-methyl-4-trimethylsilylpentan-2-one has a molecular weight of 172.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-trimethylsilylpentan-2-one is sourced from PubChem (CID 12736439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).