dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane

C11H20O5Si2 — CID 174469110

IUPACdihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane
SMILESCC(c1ccccc1)C(C)(C)O[Si](O)(O)OO[SiH3]
InChIInChI=1S/C11H20O5Si2/c1-9(10-7-5-4-6-8-10)11(2,3)14-18(12,13)16-15-17/h4-9,12-13H,1-3,17H3
InChIKeyMXTURTJAQDJNNX-UHFFFAOYSA-N
MW288.45 g/mol
LogP0.23
Rot. Bonds6

About dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane

dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane (PubChem CID 174469110) has the molecular formula C11H20O5Si2 and a molecular weight of 288.45 g/mol. Its IUPAC name is dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane.

Molecular Properties

Compound Namedihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane
PubChem CID174469110
Molecular FormulaC11H20O5Si2
Molecular Weight288.45 g/mol
Exact Mass288.08
IUPAC Namedihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane
SMILESCC(c1ccccc1)C(C)(C)O[Si](O)(O)OO[SiH3]
InChIInChI=1S/C11H20O5Si2/c1-9(10-7-5-4-6-8-10)11(2,3)14-18(12,13)16-15-17/h4-9,12-13H,1-3,17H3
InChIKeyMXTURTJAQDJNNX-UHFFFAOYSA-N
XLogP0.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
2-amino-3-phenylbutan-2-ol
CID 68615274
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
(2-methyl-3-phenylbutan-2-yl) 2-butan-2-ylbenzoate
CID 118040109
(2,4,4-trimethyl-3-phenylpentan-2-yl)oxysilane
CID 173016969
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
CID 20642617
1-methyl-3-[3-methyl-3-[2-methyl-3-(3-methylphenyl)butan-2-yl]oxybutan-2-yl]benzene
CID 169097022
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
dihydroxy-methyl-[2-phenylpropyl(silyloxy)silyl]oxysilane
CID 173415504
cumene;hydroxy hypofluorite
CID 175445754
2-methylpropan-2-ol;1-phenylethanol
CID 160949043

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane?
The IUPAC name of dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane (CID 174469110) is dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane.
What is the SMILES notation for dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane?
The canonical SMILES for dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane is CC(c1ccccc1)C(C)(C)O[Si](O)(O)OO[SiH3].
What is the InChIKey of dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane?
The InChIKey is MXTURTJAQDJNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5Si2/c1-9(10-7-5-4-6-8-10)11(2,3)14-18(12,13)16-15-17/h4-9,12-13H,1-3,17H3.
What are the key properties of dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane?
dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane has a molecular weight of 288.45 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane is sourced from PubChem (CID 174469110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).