3-methyl-3-(trimethylsilylmethyl)pentan-2-one

C10H22OSi — CID 58820876

IUPAC3-methyl-3-(trimethylsilylmethyl)pentan-2-one
SMILESCCC(C)(C[Si](C)(C)C)C(C)=O
InChIInChI=1S/C10H22OSi/c1-7-10(3,9(2)11)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyHGIPDXTXXHBKQC-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-3-(trimethylsilylmethyl)pentan-2-one

3-methyl-3-(trimethylsilylmethyl)pentan-2-one (PubChem CID 58820876) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 3-methyl-3-(trimethylsilylmethyl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-3-(trimethylsilylmethyl)pentan-2-one
PubChem CID58820876
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name3-methyl-3-(trimethylsilylmethyl)pentan-2-one
SMILESCCC(C)(C[Si](C)(C)C)C(C)=O
InChIInChI=1S/C10H22OSi/c1-7-10(3,9(2)11)8-12(4,5)6/h7-8H2,1-6H3
InChIKeyHGIPDXTXXHBKQC-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
5-acetyl-3-(2,2-dimethylpropyl)-7-ethyl-3,5,7-trimethylnonane-2,8-dione
CID 130177463
3-ethyl-3-methylhex-5-yn-2-one
CID 130028478
(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate
CID 58820878
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-ethyl-3,6-dimethyl-5-methylidenehept-6-en-2-one
CID 59467315
4-ethyl-2,2,4-trimethyl-5-oxohexanoyl chloride
CID 23391468
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
CID 7568193
3-ethyl-3,5,5-trimethylhexane-2,4-dione
CID 19371313
(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium
CID 88943906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trimethylsilylmethyl)pentan-2-one?
The IUPAC name of 3-methyl-3-(trimethylsilylmethyl)pentan-2-one (CID 58820876) is 3-methyl-3-(trimethylsilylmethyl)pentan-2-one.
What is the SMILES notation for 3-methyl-3-(trimethylsilylmethyl)pentan-2-one?
The canonical SMILES for 3-methyl-3-(trimethylsilylmethyl)pentan-2-one is CCC(C)(C[Si](C)(C)C)C(C)=O.
What is the InChIKey of 3-methyl-3-(trimethylsilylmethyl)pentan-2-one?
The InChIKey is HGIPDXTXXHBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-7-10(3,9(2)11)8-12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 3-methyl-3-(trimethylsilylmethyl)pentan-2-one?
3-methyl-3-(trimethylsilylmethyl)pentan-2-one has a molecular weight of 186.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trimethylsilylmethyl)pentan-2-one is sourced from PubChem (CID 58820876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).