4-phenyl-1-trimethylsilylbutan-1-one

C13H20OSi — CID 11138658

IUPAC4-phenyl-1-trimethylsilylbutan-1-one
SMILESC[Si](C)(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C13H20OSi/c1-15(2,3)13(14)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyIOUSNDHLJQNKDP-UHFFFAOYSA-N
MW220.39 g/mol
LogP3.46
Rot. Bonds5

About 4-phenyl-1-trimethylsilylbutan-1-one

4-phenyl-1-trimethylsilylbutan-1-one (PubChem CID 11138658) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 4-phenyl-1-trimethylsilylbutan-1-one.

Molecular Properties

Compound Name4-phenyl-1-trimethylsilylbutan-1-one
PubChem CID11138658
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name4-phenyl-1-trimethylsilylbutan-1-one
SMILESC[Si](C)(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C13H20OSi/c1-15(2,3)13(14)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyIOUSNDHLJQNKDP-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-phenyl-1-trimethylsilylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
CID 10612922
5-phenylpentan-2-one
CID 16701
trimethylsilyl 4-phenylbutanoate
CID 523833
4-phenylbutanoyl chloride
CID 11789865
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
1,9-diphenylnonan-5-one
CID 23467830
butylbenzene;carbonic acid
CID 158278492
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
5-ethyl-5-methoxy-1-phenylheptan-4-one
CID 116747402
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
carbonic acid;pentylbenzene
CID 157127683

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-trimethylsilylbutan-1-one?
The IUPAC name of 4-phenyl-1-trimethylsilylbutan-1-one (CID 11138658) is 4-phenyl-1-trimethylsilylbutan-1-one.
What is the SMILES notation for 4-phenyl-1-trimethylsilylbutan-1-one?
The canonical SMILES for 4-phenyl-1-trimethylsilylbutan-1-one is C[Si](C)(C)C(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-1-trimethylsilylbutan-1-one?
The InChIKey is IOUSNDHLJQNKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-15(2,3)13(14)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of 4-phenyl-1-trimethylsilylbutan-1-one?
4-phenyl-1-trimethylsilylbutan-1-one has a molecular weight of 220.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-trimethylsilylbutan-1-one is sourced from PubChem (CID 11138658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).