dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C9H9F13O3Si — CID 146679665

IUPACdihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCO[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F13O3Si/c1-25-26(23,24)3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23-24H,2-3H2,1H3
InChIKeyYEYHTOYFIUTELV-UHFFFAOYSA-N
MW440.23 g/mol
LogP3.69
Rot. Bonds8

About dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 146679665) has the molecular formula C9H9F13O3Si and a molecular weight of 440.23 g/mol. Its IUPAC name is dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namedihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID146679665
Molecular FormulaC9H9F13O3Si
Molecular Weight440.23 g/mol
Exact Mass440.01
IUPAC Namedihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCO[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F13O3Si/c1-25-26(23,24)3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23-24H,2-3H2,1H3
InChIKeyYEYHTOYFIUTELV-UHFFFAOYSA-N
XLogP3.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 146679665) is dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CO[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is YEYHTOYFIUTELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F13O3Si/c1-25-26(23,24)3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23-24H,2-3H2,1H3.
What are the key properties of dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 440.23 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 146679665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).