4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one

C16H26O2Si — CID 10956840

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
SMILESCC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-13(17)12-15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3
InChIKeyWHHBOPWTEJAFMR-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.73
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one

4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one (PubChem CID 10956840) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
PubChem CID10956840
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
SMILESCC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-13(17)12-15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3
InChIKeyWHHBOPWTEJAFMR-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.73
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 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one (CID 10956840) is 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one is CC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one?
The InChIKey is WHHBOPWTEJAFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-13(17)12-15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one has a molecular weight of 278.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one is sourced from PubChem (CID 10956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).