3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol

C25H43F17O5Si4 — CID 59944639

IUPAC3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C25H43F17O5Si4/c1-48(2,3)45-50(6,7)47-51(8,46-49(4,5)16-10-13-43)17-11-15-44-14-9-12-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h43H,9-17H2,1-8H3
InChIKeyVKDNDLODPIWTDR-UHFFFAOYSA-N
MW858.92 g/mol
LogP10.43
Rot. Bonds23

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944639) has the molecular formula C25H43F17O5Si4 and a molecular weight of 858.92 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
PubChem CID59944639
Molecular FormulaC25H43F17O5Si4
Molecular Weight858.92 g/mol
Exact Mass858.19
IUPAC Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C25H43F17O5Si4/c1-48(2,3)45-50(6,7)47-51(8,46-49(4,5)16-10-13-43)17-11-15-44-14-9-12-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h43H,9-17H2,1-8H3
InChIKeyVKDNDLODPIWTDR-UHFFFAOYSA-N
XLogP10.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.92
LogP ≤ 510.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol (CID 59944639) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCCC(F)(F)C(F)(F)C(F)(F)C(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-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The InChIKey is VKDNDLODPIWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43F17O5Si4/c1-48(2,3)45-50(6,7)47-51(8,46-49(4,5)16-10-13-43)17-11-15-44-14-9-12-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h43H,9-17H2,1-8H3.
What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 858.92 g/mol, XLogP of 10.43, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).