3-methyl-1-phenyl-4-trimethylsilylbutan-1-one

C14H22OSi — CID 101447394

IUPAC3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
SMILESCC(CC(=O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeySHAJSHHVRPIMLS-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.23
Rot. Bonds5

About 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one

3-methyl-1-phenyl-4-trimethylsilylbutan-1-one (PubChem CID 101447394) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
PubChem CID101447394
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
SMILESCC(CC(=O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeySHAJSHHVRPIMLS-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.23
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

1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one
CID 101447397
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(2S)-2-amino-4-methyl-6-oxo-6-phenylhexanoic acid
CID 70525182
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one?
The IUPAC name of 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one (CID 101447394) is 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one.
What is the SMILES notation for 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one?
The canonical SMILES for 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one is CC(CC(=O)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one?
The InChIKey is SHAJSHHVRPIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-12(11-16(2,3)4)10-14(15)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one?
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one has a molecular weight of 234.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-trimethylsilylbutan-1-one is sourced from PubChem (CID 101447394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).