1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one

C24H38O4Si3 — CID 20979818

IUPAC1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one
SMILESCC(C(=O)c1ccc(O[Si](C)(C)C)cc1O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C
InChIInChI=1S/C24H38O4Si3/c1-18(20-13-11-12-14-22(20)27-30(5,6)7)24(25)21-16-15-19(26-29(2,3)4)17-23(21)28-31(8,9)10/h11-18H,1-10H3
InChIKeyFBUFEBKVRPUATO-UHFFFAOYSA-N
MW474.82 g/mol
LogP7.31
Rot. Bonds9

About 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one

1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one (PubChem CID 20979818) has the molecular formula C24H38O4Si3 and a molecular weight of 474.82 g/mol. Its IUPAC name is 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one
PubChem CID20979818
Molecular FormulaC24H38O4Si3
Molecular Weight474.82 g/mol
Exact Mass474.21
IUPAC Name1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one
SMILESCC(C(=O)c1ccc(O[Si](C)(C)C)cc1O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C
InChIInChI=1S/C24H38O4Si3/c1-18(20-13-11-12-14-22(20)27-30(5,6)7)24(25)21-16-15-19(26-29(2,3)4)17-23(21)28-31(8,9)10/h11-18H,1-10H3
InChIKeyFBUFEBKVRPUATO-UHFFFAOYSA-N
XLogP7.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
(1R)-1-(2-trimethylsilyloxyphenyl)ethanamine
CID 167729285
3-amino-3-(2-trimethylsilyloxyphenyl)propanamide
CID 170875762
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
1-phenyl-3-[2,4,6-tris(trimethylsilyloxy)phenyl]propan-1-one
CID 528420
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
phenyl 4-amino-2-trimethylsilyloxybenzoate
CID 91734013
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
CID 142396089

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one?
The IUPAC name of 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one (CID 20979818) is 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one?
The canonical SMILES for 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one is CC(C(=O)c1ccc(O[Si](C)(C)C)cc1O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C.
What is the InChIKey of 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one?
The InChIKey is FBUFEBKVRPUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4Si3/c1-18(20-13-11-12-14-22(20)27-30(5,6)7)24(25)21-16-15-19(26-29(2,3)4)17-23(21)28-31(8,9)10/h11-18H,1-10H3.
What are the key properties of 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one?
1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one has a molecular weight of 474.82 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trimethylsilyloxy)phenyl]-2-(2-trimethylsilyloxyphenyl)propan-1-one is sourced from PubChem (CID 20979818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).