3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane

C11H17F7OSi — CID 123640939

IUPAC3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane
SMILESC[SiH](CCC(F)(F)C(F)(F)C(F)(F)F)C1CCCCO1
InChIInChI=1S/C11H17F7OSi/c1-20(8-4-2-3-6-19-8)7-5-9(12,13)10(14,15)11(16,17)18/h8,20H,2-7H2,1H3
InChIKeyOVSBRPDZGQAFBB-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.17
Rot. Bonds5

About 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane

3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane (PubChem CID 123640939) has the molecular formula C11H17F7OSi and a molecular weight of 326.33 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane
PubChem CID123640939
Molecular FormulaC11H17F7OSi
Molecular Weight326.33 g/mol
Exact Mass326.09
IUPAC Name3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane
SMILESC[SiH](CCC(F)(F)C(F)(F)C(F)(F)F)C1CCCCO1
InChIInChI=1S/C11H17F7OSi/c1-20(8-4-2-3-6-19-8)7-5-9(12,13)10(14,15)11(16,17)18/h8,20H,2-7H2,1H3
InChIKeyOVSBRPDZGQAFBB-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.17
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 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane (CID 123640939) is 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane is C[SiH](CCC(F)(F)C(F)(F)C(F)(F)F)C1CCCCO1.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane?
The InChIKey is OVSBRPDZGQAFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7OSi/c1-20(8-4-2-3-6-19-8)7-5-9(12,13)10(14,15)11(16,17)18/h8,20H,2-7H2,1H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane?
3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane has a molecular weight of 326.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentyl-methyl-(oxan-2-yl)silane is sourced from PubChem (CID 123640939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).