2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one

C20H26O2Si — CID 122206427

IUPAC2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,18(21)16-12-8-6-9-13-16)19(22-23(3,4)5)17-14-10-7-11-15-17/h6-15,19H,1-5H3
InChIKeyXLLJMTQMHRLCAS-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.49
Rot. Bonds6

About 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one

2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one (PubChem CID 122206427) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
PubChem CID122206427
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C20H26O2Si/c1-20(2,18(21)16-12-8-6-9-13-16)19(22-23(3,4)5)17-14-10-7-11-15-17/h6-15,19H,1-5H3
InChIKeyXLLJMTQMHRLCAS-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 134930806
methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
CID 13184442
2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
CID 174920111
1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
2-[dimethyl(phenyl)silyl]oxy-2-methyl-1-phenylpropan-1-one
CID 22163374
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The IUPAC name of 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one (CID 122206427) is 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The canonical SMILES for 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one is CC(C)(C(=O)c1ccccc1)C(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
The InChIKey is XLLJMTQMHRLCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-20(2,18(21)16-12-8-6-9-13-16)19(22-23(3,4)5)17-14-10-7-11-15-17/h6-15,19H,1-5H3.
What are the key properties of 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one?
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one has a molecular weight of 326.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 122206427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).