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

C21H35F17O4Si4 — CID 59944634

IUPAC3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(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/C21H35F17O4Si4/c1-43(2,3)40-45(6,7)42-46(8,41-44(4,5)12-9-11-39)13-10-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h39H,9-13H2,1-8H3
InChIKeyKKIKUCWVMMJZHE-UHFFFAOYSA-N
MW786.82 g/mol
LogP9.63
Rot. Bonds18

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

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944634) has the molecular formula C21H35F17O4Si4 and a molecular weight of 786.82 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
PubChem CID59944634
Molecular FormulaC21H35F17O4Si4
Molecular Weight786.82 g/mol
Exact Mass786.13
IUPAC Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(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/C21H35F17O4Si4/c1-43(2,3)40-45(6,7)42-46(8,41-44(4,5)12-9-11-39)13-10-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h39H,9-13H2,1-8H3
InChIKeyKKIKUCWVMMJZHE-UHFFFAOYSA-N
XLogP9.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.82
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol (CID 59944634) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC(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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The InChIKey is KKIKUCWVMMJZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F17O4Si4/c1-43(2,3)40-45(6,7)42-46(8,41-44(4,5)12-9-11-39)13-10-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h39H,9-13H2,1-8H3.
What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 786.82 g/mol, XLogP of 9.63, 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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).