5-methyl-1-trimethylsilylhexan-3-one

C10H22OSi — CID 14112751

IUPAC5-methyl-1-trimethylsilylhexan-3-one
SMILESCC(C)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAEYCAQMGFOPQCP-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.33
Rot. Bonds5

About 5-methyl-1-trimethylsilylhexan-3-one

5-methyl-1-trimethylsilylhexan-3-one (PubChem CID 14112751) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 5-methyl-1-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name5-methyl-1-trimethylsilylhexan-3-one
PubChem CID14112751
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name5-methyl-1-trimethylsilylhexan-3-one
SMILESCC(C)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyAEYCAQMGFOPQCP-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

6-Trimethylsilylhexan-4-one
CID 14112750
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
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
CID 15522422
(5S)-5-trimethylsilylhexan-3-one
CID 11041187
4-Methyl-1-trimethylsilylpentan-1-one
CID 12529248
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
1-[Tert-butyl(dimethyl)silyl]hexan-2-one
CID 15033607

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-trimethylsilylhexan-3-one?
The IUPAC name of 5-methyl-1-trimethylsilylhexan-3-one (CID 14112751) is 5-methyl-1-trimethylsilylhexan-3-one.
What is the SMILES notation for 5-methyl-1-trimethylsilylhexan-3-one?
The canonical SMILES for 5-methyl-1-trimethylsilylhexan-3-one is CC(C)CC(=O)CC[Si](C)(C)C.
What is the InChIKey of 5-methyl-1-trimethylsilylhexan-3-one?
The InChIKey is AEYCAQMGFOPQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-9(2)8-10(11)6-7-12(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 5-methyl-1-trimethylsilylhexan-3-one?
5-methyl-1-trimethylsilylhexan-3-one has a molecular weight of 186.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-trimethylsilylhexan-3-one is sourced from PubChem (CID 14112751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).