bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

C24H35Cl2F3O4Si3 — CID 59325932

IUPACbis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(OCc1ccc(CCl)cc1)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc1ccc(CCl)cc1
InChIInChI=1S/C24H35Cl2F3O4Si3/c1-34(2,30-18-22-10-6-20(16-25)7-11-22)32-36(5,15-14-24(27,28)29)33-35(3,4)31-19-23-12-8-21(17-26)9-13-23/h6-13H,14-19H2,1-5H3
InChIKeyJVEODUHTDGGESZ-UHFFFAOYSA-N
MW599.70 g/mol
LogP8.36
Rot. Bonds14

About bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane

bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 59325932) has the molecular formula C24H35Cl2F3O4Si3 and a molecular weight of 599.70 g/mol. Its IUPAC name is bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namebis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID59325932
Molecular FormulaC24H35Cl2F3O4Si3
Molecular Weight599.70 g/mol
Exact Mass598.12
IUPAC Namebis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(OCc1ccc(CCl)cc1)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc1ccc(CCl)cc1
InChIInChI=1S/C24H35Cl2F3O4Si3/c1-34(2,30-18-22-10-6-20(16-25)7-11-22)32-36(5,15-14-24(27,28)29)33-35(3,4)31-19-23-12-8-21(17-26)9-13-23/h6-13H,14-19H2,1-5H3
InChIKeyJVEODUHTDGGESZ-UHFFFAOYSA-N
XLogP8.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[[dimethyl-[[4-(2,3,3-trimethylbutoxymethyl)phenyl]methoxy]silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
CID 58434138
1,4-bis(chloromethyl)benzene;bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-propylsilane;bis[[hydroxy(dimethyl)silyl]oxy]-methyl-propylsilane;1-[[4-[[[[[4-(2-hydroxypropoxymethyl)phenyl]methoxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxymethyl]phenyl]methoxy]propan-2-ol;methane;propane-1,2-diol
CID 159266718
methane;trimethyl-[methyl-(3,3,3-trifluoropropyl)-trimethylsilyloxysilyl]oxysilane
CID 158893063
bis[[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
CID 141318833
[4-(chloromethyl)phenyl]methoxy-[(1R)-2-ethyl-1-hydroxy-1-methylsiliran-2-yl]oxy-dimethylsilane
CID 90206678
methyl-[methyl-bis(trifluoromethyl)silyl]oxy-[methyl-[methyl-bis(trifluoromethyl)silyl]oxy-(3,4,5-trifluorophenyl)silyl]oxy-(3,3,3-trifluoropropyl)silane
CID 174151886
CID 136711057
CID 136711057
[4-(chloromethyl)phenyl]-[dimethyl(phenyl)silyl]-dimethylsilane
CID 20675770
CID 136711054
CID 136711054
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
[4-(chloromethyl)phenyl]methoxysilane
CID 154263225
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272

Frequently Asked Questions

What is the IUPAC name of bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane (CID 59325932) is bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is C[Si](C)(OCc1ccc(CCl)cc1)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc1ccc(CCl)cc1.
What is the InChIKey of bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is JVEODUHTDGGESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Cl2F3O4Si3/c1-34(2,30-18-22-10-6-20(16-25)7-11-22)32-36(5,15-14-24(27,28)29)33-35(3,4)31-19-23-12-8-21(17-26)9-13-23/h6-13H,14-19H2,1-5H3.
What are the key properties of bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane?
bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 599.70 g/mol, XLogP of 8.36, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[4-(chloromethyl)phenyl]methoxy-dimethylsilyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 59325932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).