1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one

C20H38O5Si3 — CID 18728701

IUPAC1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C20H38O5Si3/c1-20(2,22)19(21)17-11-13-18(14-12-17)23-15-10-16-27(6,7)25-28(8,9)24-26(3,4)5/h11-14,22H,10,15-16H2,1-9H3
InChIKeyZPURKDRIECKDPI-UHFFFAOYSA-N
MW442.78 g/mol
LogP5.18
Rot. Bonds11

About 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one

1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 18728701) has the molecular formula C20H38O5Si3 and a molecular weight of 442.78 g/mol. Its IUPAC name is 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
PubChem CID18728701
Molecular FormulaC20H38O5Si3
Molecular Weight442.78 g/mol
Exact Mass442.20
IUPAC Name1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C20H38O5Si3/c1-20(2,22)19(21)17-11-13-18(14-12-17)23-15-10-16-27(6,7)25-28(8,9)24-26(3,4)5/h11-14,22H,10,15-16H2,1-9H3
InChIKeyZPURKDRIECKDPI-UHFFFAOYSA-N
XLogP5.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.78
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-[[3-[4-[2-[dimethyl(trimethylsilyloxy)silyl]oxy-2-methylpropanoyl]phenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one;1-[4-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]-2,2-dimethylpropan-1-one;1-[4-[3-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2,2-dimethylpropan-1-one
CID 157288356
3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane
CID 159883399
2-[2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetyl]oxyethyl 2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetate
CID 20801350
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
[4-[4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoyl]oxy-3-methylphenyl] 4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100914821
[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
CID 101347668
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one (CID 18728701) is 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1.
What is the InChIKey of 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is ZPURKDRIECKDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5Si3/c1-20(2,22)19(21)17-11-13-18(14-12-17)23-15-10-16-27(6,7)25-28(8,9)24-26(3,4)5/h11-14,22H,10,15-16H2,1-9H3.
What are the key properties of 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one?
1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 442.78 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 18728701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).