1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one

C15H24O3Si — CID 56998630

IUPAC1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
SMILESCC(C)(C)C(=O)C(O)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H24O3Si/c1-14(2,3)13(16)15(17,18-19(4,5)6)12-10-8-7-9-11-12/h7-11,17H,1-6H3
InChIKeyIFMLBFIBSHNWGZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.30
Rot. Bonds4

About 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one

1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one (PubChem CID 56998630) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one.

Molecular Properties

Compound Name1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
PubChem CID56998630
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
SMILESCC(C)(C)C(=O)C(O)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H24O3Si/c1-14(2,3)13(16)15(17,18-19(4,5)6)12-10-8-7-9-11-12/h7-11,17H,1-6H3
InChIKeyIFMLBFIBSHNWGZ-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-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

(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
(2,3-diphenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10068766
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
CID 11098418
dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 11826857
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
trimethyl(trityloxy)silane
CID 11067560
2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
CID 170850849
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
CID 161419410
CID 161419410
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one?
The IUPAC name of 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one (CID 56998630) is 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one.
What is the SMILES notation for 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one?
The canonical SMILES for 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one is CC(C)(C)C(=O)C(O)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one?
The InChIKey is IFMLBFIBSHNWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-14(2,3)13(16)15(17,18-19(4,5)6)12-10-8-7-9-11-12/h7-11,17H,1-6H3.
What are the key properties of 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one?
1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one has a molecular weight of 280.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one is sourced from PubChem (CID 56998630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).