1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol

C24H57F3O8Si5 — CID 59324240

IUPAC1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol
SMILESCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)O
InChIInChI=1S/C24H57F3O8Si5/c1-22(28)20-30-15-12-17-36(3,4)32-38(7,8)34-40(11,19-14-24(25,26)27)35-39(9,10)33-37(5,6)18-13-16-31-21-23(2)29/h22-23,28-29H,12-21H2,1-11H3
InChIKeyUGZBPQXKGYCAMM-UHFFFAOYSA-N
MW671.14 g/mol
LogP6.47
Rot. Bonds22

About 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol

1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol (PubChem CID 59324240) has the molecular formula C24H57F3O8Si5 and a molecular weight of 671.14 g/mol. Its IUPAC name is 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol
PubChem CID59324240
Molecular FormulaC24H57F3O8Si5
Molecular Weight671.14 g/mol
Exact Mass670.29
IUPAC Name1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol
SMILESCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)O
InChIInChI=1S/C24H57F3O8Si5/c1-22(28)20-30-15-12-17-36(3,4)32-38(7,8)34-40(11,19-14-24(25,26)27)35-39(9,10)33-37(5,6)18-13-16-31-21-23(2)29/h22-23,28-29H,12-21H2,1-11H3
InChIKeyUGZBPQXKGYCAMM-UHFFFAOYSA-N
XLogP6.47
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.14
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol?
The IUPAC name of 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol (CID 59324240) is 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol.
What is the SMILES notation for 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol?
The canonical SMILES for 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol is CC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)O[Si](C)(C)CCCOCC(C)O.
What is the InChIKey of 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol?
The InChIKey is UGZBPQXKGYCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57F3O8Si5/c1-22(28)20-30-15-12-17-36(3,4)32-38(7,8)34-40(11,19-14-24(25,26)27)35-39(9,10)33-37(5,6)18-13-16-31-21-23(2)29/h22-23,28-29H,12-21H2,1-11H3.
What are the key properties of 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol?
1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol has a molecular weight of 671.14 g/mol, XLogP of 6.47, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-2-ol is sourced from PubChem (CID 59324240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).