[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane

C77H83Cl5F2N2O8Si3 — CID 158770960

IUPAC[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane
SMILESCN(C)c1ccc(/C=C/c2ccc(/C=C/c3cc(F)c(O)c(F)c3)cc2)cc1.CO[Si](OC)(OC)c1ccc(CCl)cc1.CO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C36H41NO4Si.C24H21F2NO.C10H15ClO3Si.C7H6Cl4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7;1-27(2)21-13-11-19(12-14-21)8-7-17-3-5-18(6-4-17)9-10-20-15-22(25)24(28)23(26)16-20;1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10;8-5-6-1-3-7(4-2-6)12(9,10)11/h8-25H,26H2,1-7H3;3-16,28H,1-2H3;4-7H,8H2,1-3H3;1-4H,5H2/b13-12+,15-14+;8-7+,10-9+;;
InChIKeyIPVYZWMCQOPHKM-BICSBDAZSA-N
MW1464.04 g/mol
LogP18.25
Rot. Bonds24

About [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane

[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane (PubChem CID 158770960) has the molecular formula C77H83Cl5F2N2O8Si3 and a molecular weight of 1464.04 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane
PubChem CID158770960
Molecular FormulaC77H83Cl5F2N2O8Si3
Molecular Weight1464.04 g/mol
Exact Mass1460.39
IUPAC Name[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane
SMILESCN(C)c1ccc(/C=C/c2ccc(/C=C/c3cc(F)c(O)c(F)c3)cc2)cc1.CO[Si](OC)(OC)c1ccc(CCl)cc1.CO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C36H41NO4Si.C24H21F2NO.C10H15ClO3Si.C7H6Cl4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7;1-27(2)21-13-11-19(12-14-21)8-7-17-3-5-18(6-4-17)9-10-20-15-22(25)24(28)23(26)16-20;1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10;8-5-6-1-3-7(4-2-6)12(9,10)11/h8-25H,26H2,1-7H3;3-16,28H,1-2H3;4-7H,8H2,1-3H3;1-4H,5H2/b13-12+,15-14+;8-7+,10-9+;;
InChIKeyIPVYZWMCQOPHKM-BICSBDAZSA-N
XLogP18.25
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.04
LogP ≤ 518.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane?
The IUPAC name of [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane (CID 158770960) is [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane.
What is the SMILES notation for [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane?
The canonical SMILES for [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane is CN(C)c1ccc(/C=C/c2ccc(/C=C/c3cc(F)c(O)c(F)c3)cc2)cc1.CO[Si](OC)(OC)c1ccc(CCl)cc1.CO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1.ClCc1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane?
The InChIKey is IPVYZWMCQOPHKM-BICSBDAZSA-N. The full InChI is InChI=1S/C36H41NO4Si.C24H21F2NO.C10H15ClO3Si.C7H6Cl4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7;1-27(2)21-13-11-19(12-14-21)8-7-17-3-5-18(6-4-17)9-10-20-15-22(25)24(28)23(26)16-20;1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10;8-5-6-1-3-7(4-2-6)12(9,10)11/h8-25H,26H2,1-7H3;3-16,28H,1-2H3;4-7H,8H2,1-3H3;1-4H,5H2/b13-12+,15-14+;8-7+,10-9+;;.
What are the key properties of [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane?
[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane has a molecular weight of 1464.04 g/mol, XLogP of 18.25, 24 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane is sourced from PubChem (CID 158770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).