6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane

C15H15F17OSi — CID 175469731

IUPAC6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C15H15F17OSi/c1-7(5-4-6-34(2,3)33-7)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-6H2,1-3H3
InChIKeyJKUZJCDIZOXNFZ-UHFFFAOYSA-N
MW562.34 g/mol
LogP7.77
Rot. Bonds7

About 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane

6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane (PubChem CID 175469731) has the molecular formula C15H15F17OSi and a molecular weight of 562.34 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane
PubChem CID175469731
Molecular FormulaC15H15F17OSi
Molecular Weight562.34 g/mol
Exact Mass562.06
IUPAC Name6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C15H15F17OSi/c1-7(5-4-6-34(2,3)33-7)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-6H2,1-3H3
InChIKeyJKUZJCDIZOXNFZ-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.34
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane?
The IUPAC name of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane (CID 175469731) is 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane.
What is the SMILES notation for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane?
The canonical SMILES for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane is CC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1.
What is the InChIKey of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane?
The InChIKey is JKUZJCDIZOXNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F17OSi/c1-7(5-4-6-34(2,3)33-7)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-6H2,1-3H3.
What are the key properties of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane?
6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane has a molecular weight of 562.34 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2,2,6-trimethyloxasilinane is sourced from PubChem (CID 175469731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).