4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one

C20H34O2Si — CID 10568767

IUPAC4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one
SMILESCC[Si](CC)(CC)OCC(C(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-7-23(8-2,9-3)22-16-18(20(4,5)6)19(21)15-17-13-11-10-12-14-17/h10-14,18H,7-9,15-16H2,1-6H3
InChIKeyWZFPAVWLCZQJEU-UHFFFAOYSA-N
MW334.58 g/mol
LogP5.48
Rot. Bonds9

About 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one

4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one (PubChem CID 10568767) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one
PubChem CID10568767
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one
SMILESCC[Si](CC)(CC)OCC(C(=O)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-7-23(8-2,9-3)22-16-18(20(4,5)6)19(21)15-17-13-11-10-12-14-17/h10-14,18H,7-9,15-16H2,1-6H3
InChIKeyWZFPAVWLCZQJEU-UHFFFAOYSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-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

3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one
CID 10542727
3-ethoxy-1-phenylpentan-2-one
CID 116707454
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
CID 67129592
(4,4-dimethyl-2-oxo-1-phenylpentan-3-yl)carbamic acid
CID 69102432
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
benzyl-ethoxy-diethylsilane
CID 13486124
2-phenyl-1-triethylsilylethanone
CID 14938850
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964
ethyl carbamate;2-phenylacetic acid
CID 153376104
2-[amino(ethoxy)methyl]-3-oxo-4-phenylbutanoic acid
CID 141155156
[2-(benzylamino)-3,3-dimethylbutyl] carbamate
CID 91176107
3-iodo-1-phenylhexan-2-one
CID 10990286

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one?
The IUPAC name of 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one (CID 10568767) is 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one is CC[Si](CC)(CC)OCC(C(=O)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one?
The InChIKey is WZFPAVWLCZQJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-7-23(8-2,9-3)22-16-18(20(4,5)6)19(21)15-17-13-11-10-12-14-17/h10-14,18H,7-9,15-16H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one?
4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one has a molecular weight of 334.58 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenyl-3-(triethylsilyloxymethyl)pentan-2-one is sourced from PubChem (CID 10568767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).