3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one

C18H30O2Si — CID 10542727

IUPAC3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H30O2Si/c1-6-21(7-2,8-3)20-15-18(4,5)17(19)14-16-12-10-9-11-13-16/h9-13H,6-8,14-15H2,1-5H3
InChIKeyRPDRIZVEUNANPY-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.85
Rot. Bonds9

About 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one

3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one (PubChem CID 10542727) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one
PubChem CID10542727
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one
SMILESCC[Si](CC)(CC)OCC(C)(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H30O2Si/c1-6-21(7-2,8-3)20-15-18(4,5)17(19)14-16-12-10-9-11-13-16/h9-13H,6-8,14-15H2,1-5H3
InChIKeyRPDRIZVEUNANPY-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one?
The IUPAC name of 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one (CID 10542727) is 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one?
The canonical SMILES for 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one is CC[Si](CC)(CC)OCC(C)(C)C(=O)Cc1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one?
The InChIKey is RPDRIZVEUNANPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-6-21(7-2,8-3)20-15-18(4,5)17(19)14-16-12-10-9-11-13-16/h9-13H,6-8,14-15H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one?
3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one has a molecular weight of 306.52 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-4-triethylsilyloxybutan-2-one is sourced from PubChem (CID 10542727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).