3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol

C18H35F11O4Si4 — CID 59944635

IUPAC3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]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)F)O[Si](C)(C)CCCO
InChIInChI=1S/C18H35F11O4Si4/c1-34(2,3)31-36(6,7)33-37(8,32-35(4,5)12-9-11-30)13-10-14(19,20)15(21,22)16(23,24)17(25,26)18(27,28)29/h30H,9-13H2,1-8H3
InChIKeyVSLBNBXPBXFNFO-UHFFFAOYSA-N
MW636.80 g/mol
LogP7.73
Rot. Bonds15

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944635) has the molecular formula C18H35F11O4Si4 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol
PubChem CID59944635
Molecular FormulaC18H35F11O4Si4
Molecular Weight636.80 g/mol
Exact Mass636.14
IUPAC Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]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)F)O[Si](C)(C)CCCO
InChIInChI=1S/C18H35F11O4Si4/c1-34(2,3)31-36(6,7)33-37(8,32-35(4,5)12-9-11-30)13-10-14(19,20)15(21,22)16(23,24)17(25,26)18(27,28)29/h30H,9-13H2,1-8H3
InChIKeyVSLBNBXPBXFNFO-UHFFFAOYSA-N
XLogP7.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 57.73
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-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol (CID 59944635) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]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)F)O[Si](C)(C)CCCO.
What is the InChIKey of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol?
The InChIKey is VSLBNBXPBXFNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F11O4Si4/c1-34(2,3)31-36(6,7)33-37(8,32-35(4,5)12-9-11-30)13-10-14(19,20)15(21,22)16(23,24)17(25,26)18(27,28)29/h30H,9-13H2,1-8H3.
What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol?
3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 636.80 g/mol, XLogP of 7.73, 15 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-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).