[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane

C57H66Cl10O13Si7 — CID 159128159

IUPAC[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane
SMILESCO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C50H60Cl6O13Si6.C7H6Cl4Si/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;8-5-6-1-3-7(4-2-6)12(9,10)11/h9-32H,33-38H2,1-8H3;1-4H,5H2
InChIKeyKGNPPGCFDDMOKJ-UHFFFAOYSA-N
MW1510.27 g/mol
LogP11.04
Rot. Bonds32

About [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane

[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane (PubChem CID 159128159) has the molecular formula C57H66Cl10O13Si7 and a molecular weight of 1510.27 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane
PubChem CID159128159
Molecular FormulaC57H66Cl10O13Si7
Molecular Weight1510.27 g/mol
Exact Mass1503.98
IUPAC Name[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane
SMILESCO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C50H60Cl6O13Si6.C7H6Cl4Si/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;8-5-6-1-3-7(4-2-6)12(9,10)11/h9-32H,33-38H2,1-8H3;1-4H,5H2
InChIKeyKGNPPGCFDDMOKJ-UHFFFAOYSA-N
XLogP11.04
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms87
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.27
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane?
The IUPAC name of [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane (CID 159128159) is [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane.
What is the SMILES notation for [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane?
The canonical SMILES for [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane is CO[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(O[Si](OC)(OC)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane?
The InChIKey is KGNPPGCFDDMOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60Cl6O13Si6.C7H6Cl4Si/c1-57-70(58-2,45-21-9-39(33-51)10-22-45)65-72(61-5,47-25-13-41(35-53)14-26-47)67-74(63-7,49-29-17-43(37-55)18-30-49)69-75(64-8,50-31-19-44(38-56)20-32-50)68-73(62-6,48-27-15-42(36-54)16-28-48)66-71(59-3,60-4)46-23-11-40(34-52)12-24-46;8-5-6-1-3-7(4-2-6)12(9,10)11/h9-32H,33-38H2,1-8H3;1-4H,5H2.
What are the key properties of [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane?
[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane has a molecular weight of 1510.27 g/mol, XLogP of 11.04, 32 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane is sourced from PubChem (CID 159128159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).