1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one

C14H21ClOSi — CID 101447397

IUPAC1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one
SMILESCC(CC(=O)c1ccc(Cl)cc1)C[Si](C)(C)C
InChIInChI=1S/C14H21ClOSi/c1-11(10-17(2,3)4)9-14(16)12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyDSGLJYAVRLLRQH-UHFFFAOYSA-N
MW268.86 g/mol
LogP4.89
Rot. Bonds5

About 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one

1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one (PubChem CID 101447397) has the molecular formula C14H21ClOSi and a molecular weight of 268.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one
PubChem CID101447397
Molecular FormulaC14H21ClOSi
Molecular Weight268.86 g/mol
Exact Mass268.11
IUPAC Name1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one
SMILESCC(CC(=O)c1ccc(Cl)cc1)C[Si](C)(C)C
InChIInChI=1S/C14H21ClOSi/c1-11(10-17(2,3)4)9-14(16)12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyDSGLJYAVRLLRQH-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.86
LogP ≤ 54.89
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-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
(2S)-4-(4-chlorophenyl)-2-methyl-4-oxobutanoate
CID 7010070
1-(4-chlorophenyl)-3-hydroxy-3-iodopropan-1-one
CID 134357964
[2-(4-chlorophenyl)-2-oxoethyl]phosphonic acid
CID 70418776
(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 15389685
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947
(3R)-5-(3,4-dichlorophenyl)-3-methyl-5-oxopentanoic acid
CID 26595905
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
methyl 4-(4-chlorophenyl)-4-oxo-2-(4-propan-2-ylphenyl)butanoate
CID 5108589
N-(4-chlorophenyl)-4-methyl-3-(1-trimethylsilylpropan-2-yl)benzamide
CID 142636529
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one (CID 101447397) is 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one is CC(CC(=O)c1ccc(Cl)cc1)C[Si](C)(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one?
The InChIKey is DSGLJYAVRLLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClOSi/c1-11(10-17(2,3)4)9-14(16)12-5-7-13(15)8-6-12/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one?
1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one has a molecular weight of 268.86 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-4-trimethylsilylbutan-1-one is sourced from PubChem (CID 101447397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).