5-methyl-3-(trimethylsilylmethyl)hexan-2-one

C11H24OSi — CID 12607716

IUPAC5-methyl-3-(trimethylsilylmethyl)hexan-2-one
SMILESCC(=O)C(CC(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-9(2)7-11(10(3)12)8-13(4,5)6/h9,11H,7-8H2,1-6H3
InChIKeyDBKQHEKHTVNPNZ-UHFFFAOYSA-N
MW200.40 g/mol
LogP3.58
Rot. Bonds5

About 5-methyl-3-(trimethylsilylmethyl)hexan-2-one

5-methyl-3-(trimethylsilylmethyl)hexan-2-one (PubChem CID 12607716) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is 5-methyl-3-(trimethylsilylmethyl)hexan-2-one.

Molecular Properties

Compound Name5-methyl-3-(trimethylsilylmethyl)hexan-2-one
PubChem CID12607716
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name5-methyl-3-(trimethylsilylmethyl)hexan-2-one
SMILESCC(=O)C(CC(C)C)C[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-9(2)7-11(10(3)12)8-13(4,5)6/h9,11H,7-8H2,1-6H3
InChIKeyDBKQHEKHTVNPNZ-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

Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
CID 15522422
Silane, (3-ethyl-1-oxopentyl)trimethyl-
CID 12192460
4-Methyl-1-trimethylsilylpentan-1-one
CID 12529248
4-Methyl-1-trimethylsilylpentan-3-one
CID 12607719
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
4-Methyl-4-trimethylsilylpentan-2-one
CID 12736439
3-Ethyl-1-trimethylsilylheptan-1-one
CID 13601209
5-Methyl-1-trimethylsilylhexan-3-one
CID 14112751

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The IUPAC name of 5-methyl-3-(trimethylsilylmethyl)hexan-2-one (CID 12607716) is 5-methyl-3-(trimethylsilylmethyl)hexan-2-one.
What is the SMILES notation for 5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The canonical SMILES for 5-methyl-3-(trimethylsilylmethyl)hexan-2-one is CC(=O)C(CC(C)C)C[Si](C)(C)C.
What is the InChIKey of 5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
The InChIKey is DBKQHEKHTVNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi/c1-9(2)7-11(10(3)12)8-13(4,5)6/h9,11H,7-8H2,1-6H3.
What are the key properties of 5-methyl-3-(trimethylsilylmethyl)hexan-2-one?
5-methyl-3-(trimethylsilylmethyl)hexan-2-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 5-methyl-3-(trimethylsilylmethyl)hexan-2-one is sourced from PubChem (CID 12607716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).