3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol

C21H41F11O4Si4 — CID 59944644

IUPAC3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C21H41F11O4Si4/c1-37(2,3)34-39(6,7)36-40(8,35-38(4,5)15-12-14-33)16-11-9-10-13-17(22,23)18(24,25)19(26,27)20(28,29)21(30,31)32/h33H,9-16H2,1-8H3
InChIKeyRMEMXWRTZRHCKD-UHFFFAOYSA-N
MW678.88 g/mol
LogP8.90
Rot. Bonds18

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944644) has the molecular formula C21H41F11O4Si4 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol
PubChem CID59944644
Molecular FormulaC21H41F11O4Si4
Molecular Weight678.88 g/mol
Exact Mass678.19
IUPAC Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C21H41F11O4Si4/c1-37(2,3)34-39(6,7)36-40(8,35-38(4,5)15-12-14-33)16-11-9-10-13-17(22,23)18(24,25)19(26,27)20(28,29)21(30,31)32/h33H,9-16H2,1-8H3
InChIKeyRMEMXWRTZRHCKD-UHFFFAOYSA-N
XLogP8.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol (CID 59944644) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO.
What is the InChIKey of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The InChIKey is RMEMXWRTZRHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41F11O4Si4/c1-37(2,3)34-39(6,7)36-40(8,35-38(4,5)15-12-14-33)16-11-9-10-13-17(22,23)18(24,25)19(26,27)20(28,29)21(30,31)32/h33H,9-16H2,1-8H3.
What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol?
3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 678.88 g/mol, XLogP of 8.90, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(6,6,7,7,8,8,9,9,10,10,10-undecafluorodecyl)silyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).