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

C74H131Cl4F3O18Si9 — CID 159266718

About 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

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 (PubChem CID 159266718) has the molecular formula C74H131Cl4F3O18Si9 and a molecular weight of 1760.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159266718
• Molecular Formula: C74H131Cl4F3O18Si9
• Molecular Weight: 1760.42 g/mol
• Exact Mass: 1756.60
• IUPAC Name: 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
• SMILES: C.CC(O)CO.CC(O)COCc1ccc(CO[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc2ccc(COCC(C)O)cc2)cc1.CCC[Si](C)(O[Si](C)(C)O)O[Si](C)(C)O.CCC[Si](C)(O[Si](C)(C)OCc1ccc(CCl)cc1)O[Si](C)(C)OCc1ccc(CCl)cc1.ClCc1ccc(CCl)cc1
• InChI: InChI=1S/C30H49F3O8Si3.C24H38Cl2O4Si3.C8H8Cl2.C8H24O4Si3.C3H8O2.CH4/c1-24(34)18-36-20-26-8-12-28(13-9-26)22-38-42(3,4)40-44(7,17-16-30(31,32)33)41-43(5,6)39-23-29-14-10-27(11-15-29)21-37-19-25(2)35;1-7-16-33(6,29-31(2,3)27-19-23-12-8-21(17-25)9-13-23)30-32(4,5)28-20-24-14-10-22(18-26)11-15-24;9-5-7-1-2-8(6-10)4-3-7;1-7-8-15(6,11-13(2,3)9)12-14(4,5)10;1-3(5)2-4;/h8-15,24-25,34-35H,16-23H2,1-7H3;8-15H,7,16-20H2,1-6H3;1-4H,5-6H2;9-10H,7-8H2,1-6H3;3-5H,2H2,1H3;1H4
• InChIKey: KXEVXKLMJSAEDJ-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 232.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 43
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.42
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CC(O)CO.CC(O)COCc1ccc(CO[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)OCc2ccc(COCC(C)O)cc2)cc1.CCC[Si](C)(O[Si](C)(C)O)O[Si](C)(C)O.CCC[Si](C)(O[Si](C)(C)OCc1ccc(CCl)cc1)O[Si](C)(C)OCc1ccc(CCl)cc1.ClCc1ccc(CCl)cc1.

What is the InChIKey of 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?

The InChIKey is KXEVXKLMJSAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49F3O8Si3.C24H38Cl2O4Si3.C8H8Cl2.C8H24O4Si3.C3H8O2.CH4/c1-24(34)18-36-20-26-8-12-28(13-9-26)22-38-42(3,4)40-44(7,17-16-30(31,32)33)41-43(5,6)39-23-29-14-10-27(11-15-29)21-37-19-25(2)35;1-7-16-33(6,29-31(2,3)27-19-23-12-8-21(17-25)9-13-23)30-32(4,5)28-20-24-14-10-22(18-26)11-15-24;9-5-7-1-2-8(6-10)4-3-7;1-7-8-15(6,11-13(2,3)9)12-14(4,5)10;1-3(5)2-4;/h8-15,24-25,34-35H,16-23H2,1-7H3;8-15H,7,16-20H2,1-6H3;1-4H,5-6H2;9-10H,7-8H2,1-6H3;3-5H,2H2,1H3;1H4.

What are the key properties of 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?

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 has a molecular weight of 1760.42 g/mol, XLogP of 19.54, 43 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159266718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).