2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol

C52H77O8PSi5 — CID 90381260

IUPAC2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
SMILESC[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1OP(=O)(Oc1ccccc1CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O)c1ccccc1
InChIInChI=1S/C52H77O8PSi5/c1-62(2,40-22-30-44-26-14-18-36-49(44)53)58-63(3,4)41-24-32-46-28-16-20-38-51(46)56-61(55,48-34-12-11-13-35-48)57-52-39-21-17-29-47(52)33-25-43-65(7,8)60-66(9,10)59-64(5,6)42-23-31-45-27-15-19-37-50(45)54/h11-21,26-29,34-39,53-54H,22-25,30-33,40-43H2,1-10H3
InChIKeyHAWZFYMXXFYWPD-UHFFFAOYSA-N
MW1001.58 g/mol
LogP14.78
Rot. Bonds27

About 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol

2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol (PubChem CID 90381260) has the molecular formula C52H77O8PSi5 and a molecular weight of 1001.58 g/mol. Its IUPAC name is 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol.

Molecular Properties

Compound Name2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
PubChem CID90381260
Molecular FormulaC52H77O8PSi5
Molecular Weight1001.58 g/mol
Exact Mass1000.42
IUPAC Name2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
SMILESC[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1OP(=O)(Oc1ccccc1CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O)c1ccccc1
InChIInChI=1S/C52H77O8PSi5/c1-62(2,40-22-30-44-26-14-18-36-49(44)53)58-63(3,4)41-24-32-46-28-16-20-38-51(46)56-61(55,48-34-12-11-13-35-48)57-52-39-21-17-29-47(52)33-25-43-65(7,8)60-66(9,10)59-64(5,6)42-23-31-45-27-15-19-37-50(45)54/h11-21,26-29,34-39,53-54H,22-25,30-33,40-43H2,1-10H3
InChIKeyHAWZFYMXXFYWPD-UHFFFAOYSA-N
XLogP14.78
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.58
LogP ≤ 514.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol with MolForge

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Related Compounds

2-[3-[[[[[[[[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 123229460
2-[3-[[dimethyl(phenyl)silyl]oxy-dimethylsilyl]propyl]phenol
CID 59202642
[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 22168337
(2-methoxyphenyl)methyl-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilane
CID 162694863
2-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-[3-(2-hydroxyphenyl)propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol
CID 159173217
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;methane
CID 157275960
1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
CID 141046812
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
4-O-(2-tert-butyl-6-methyl-4-propylphenyl) 1-O-[2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] benzene-1,4-dicarboxylate
CID 140885333
2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]-6-phenylphenol
CID 59202633
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol;2-[3-[[3-[2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenol;2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 160738980
4-[3-[[[[[3-(4-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 23368907

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The IUPAC name of 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol (CID 90381260) is 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol.
What is the SMILES notation for 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The canonical SMILES for 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol is C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1OP(=O)(Oc1ccccc1CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
The InChIKey is HAWZFYMXXFYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H77O8PSi5/c1-62(2,40-22-30-44-26-14-18-36-49(44)53)58-63(3,4)41-24-32-46-28-16-20-38-51(46)56-61(55,48-34-12-11-13-35-48)57-52-39-21-17-29-47(52)33-25-43-65(7,8)60-66(9,10)59-64(5,6)42-23-31-45-27-15-19-37-50(45)54/h11-21,26-29,34-39,53-54H,22-25,30-33,40-43H2,1-10H3.
What are the key properties of 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol?
2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol has a molecular weight of 1001.58 g/mol, XLogP of 14.78, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[2-[[2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenoxy]-phenylphosphoryl]oxyphenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol is sourced from PubChem (CID 90381260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).