2,4-dimethyl-1-trimethylsilylhexan-3-one

C11H24OSi — CID 14902795

IUPAC2,4-dimethyl-1-trimethylsilylhexan-3-one
SMILESCCC(C)C(=O)C(C)C[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-9(2)11(12)10(3)8-13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyMGQMRFPJOVSHFY-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.58
Rot. Bonds5

About 2,4-dimethyl-1-trimethylsilylhexan-3-one

2,4-dimethyl-1-trimethylsilylhexan-3-one (PubChem CID 14902795) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1-trimethylsilylhexan-3-one
PubChem CID14902795
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name2,4-dimethyl-1-trimethylsilylhexan-3-one
SMILESCCC(C)C(=O)C(C)C[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-9(2)11(12)10(3)8-13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyMGQMRFPJOVSHFY-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.58
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-[(Trimethylsilyl)methyl]cyclobutan-1-one
CID 130032031
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
1-Cyclopropyl-2-trimethylsilylethanone
CID 91510198
4,5,5-Trifluoro-4-methyl-1-trimethylsilylhexan-3-one
CID 57591954
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751
4-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033614
3-[Tert-butyl(dimethyl)silyl]-3-methylcyclopentan-1-one
CID 85598144
3-(Trimethylsilylmethyl)heptan-2-one
CID 85613691

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-trimethylsilylhexan-3-one?
The IUPAC name of 2,4-dimethyl-1-trimethylsilylhexan-3-one (CID 14902795) is 2,4-dimethyl-1-trimethylsilylhexan-3-one.
What is the SMILES notation for 2,4-dimethyl-1-trimethylsilylhexan-3-one?
The canonical SMILES for 2,4-dimethyl-1-trimethylsilylhexan-3-one is CCC(C)C(=O)C(C)C[Si](C)(C)C.
What is the InChIKey of 2,4-dimethyl-1-trimethylsilylhexan-3-one?
The InChIKey is MGQMRFPJOVSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-7-9(2)11(12)10(3)8-13(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,4-dimethyl-1-trimethylsilylhexan-3-one?
2,4-dimethyl-1-trimethylsilylhexan-3-one has a molecular weight of 200.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-trimethylsilylhexan-3-one is sourced from PubChem (CID 14902795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).