2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

C23H45F13O6Si5 — CID 19823929

IUPAC2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H45F13O6Si5/c1-43(2,16-11-14-38-15-13-37)39-45(5,6)41-47(9,10)42-46(7,8)40-44(3,4)17-12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h37H,11-17H2,1-10H3
InChIKeyXFUODWORHUCACN-UHFFFAOYSA-N
MW805.01 g/mol
LogP9.10
Rot. Bonds21

About 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol

2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (PubChem CID 19823929) has the molecular formula C23H45F13O6Si5 and a molecular weight of 805.01 g/mol. Its IUPAC name is 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
PubChem CID19823929
Molecular FormulaC23H45F13O6Si5
Molecular Weight805.01 g/mol
Exact Mass804.19
IUPAC Name2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C23H45F13O6Si5/c1-43(2,16-11-14-38-15-13-37)39-45(5,6)41-47(9,10)42-46(7,8)40-44(3,4)17-12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h37H,11-17H2,1-10H3
InChIKeyXFUODWORHUCACN-UHFFFAOYSA-N
XLogP9.10
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.01
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The IUPAC name of 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol (CID 19823929) is 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The canonical SMILES for 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is C[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
The InChIKey is XFUODWORHUCACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45F13O6Si5/c1-43(2,16-11-14-38-15-13-37)39-45(5,6)41-47(9,10)42-46(7,8)40-44(3,4)17-12-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h37H,11-17H2,1-10H3.
What are the key properties of 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol?
2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol has a molecular weight of 805.01 g/mol, XLogP of 9.10, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol is sourced from PubChem (CID 19823929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).