[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane

C23H52INO7Si5 — CID 162206931

IUPAC[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane
SMILESC.CCOc1ccc(C(=O)C(C)(C)O)cc1.[H]/N=I/[Si](C)(O[SiH](C)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H16O3.C10H32INO4Si5.CH4/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14;1-17(13-20(8,9)15-18(2,3)4)14-21(10,11-12)16-19(5,6)7;/h5-8,14H,4H2,1-3H3;12,17H,1-10H3;1H4
InChIKeyZSHVNLTXUFEYOD-UHFFFAOYSA-N
MW722.00 g/mol
LogP7.25
Rot. Bonds13

About [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane

[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane (PubChem CID 162206931) has the molecular formula C23H52INO7Si5 and a molecular weight of 722.00 g/mol. Its IUPAC name is [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane.

Molecular Properties

Compound Name[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane
PubChem CID162206931
Molecular FormulaC23H52INO7Si5
Molecular Weight722.00 g/mol
Exact Mass721.16
IUPAC Name[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane
SMILESC.CCOc1ccc(C(=O)C(C)(C)O)cc1.[H]/N=I/[Si](C)(O[SiH](C)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H16O3.C10H32INO4Si5.CH4/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14;1-17(13-20(8,9)15-18(2,3)4)14-21(10,11-12)16-19(5,6)7;/h5-8,14H,4H2,1-3H3;12,17H,1-10H3;1H4
InChIKeyZSHVNLTXUFEYOD-UHFFFAOYSA-N
XLogP7.25
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.00
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane with MolForge

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Related Compounds

1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
2-hydroxy-2-methyl-1-[4-[methyl(trimethylsilyloxy)silyl]oxyphenyl]propan-1-one
CID 123253978
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
ethyl-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl]-dimethylazanium
CID 118135437
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
(E)-3-(4-ethoxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 82086838
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
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

Frequently Asked Questions

What is the IUPAC name of [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane?
The IUPAC name of [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane (CID 162206931) is [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane.
What is the SMILES notation for [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane?
The canonical SMILES for [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane is C.CCOc1ccc(C(=O)C(C)(C)O)cc1.[H]/N=I/[Si](C)(O[SiH](C)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane?
The InChIKey is ZSHVNLTXUFEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C10H32INO4Si5.CH4/c1-4-15-10-7-5-9(6-8-10)11(13)12(2,3)14;1-17(13-20(8,9)15-18(2,3)4)14-21(10,11-12)16-19(5,6)7;/h5-8,14H,4H2,1-3H3;12,17H,1-10H3;1H4.
What are the key properties of [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane?
[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane has a molecular weight of 722.00 g/mol, XLogP of 7.25, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-(imino-λ3-iodanyl)-methyl-trimethylsilyloxysilane;1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one;methane is sourced from PubChem (CID 162206931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).