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

C10H11F13O3Si — CID 146679269

IUPACethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F13O3Si/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24-25H,2-4H2,1H3
InChIKeyURNSYGPDGUIZOF-UHFFFAOYSA-N
MW454.26 g/mol
LogP4.08
Rot. Bonds9

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

ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 146679269) has the molecular formula C10H11F13O3Si and a molecular weight of 454.26 g/mol. Its IUPAC name is ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Nameethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID146679269
Molecular FormulaC10H11F13O3Si
Molecular Weight454.26 g/mol
Exact Mass454.03
IUPAC Nameethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F13O3Si/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24-25H,2-4H2,1H3
InChIKeyURNSYGPDGUIZOF-UHFFFAOYSA-N
XLogP4.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 54.08
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'}

Analyze ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 146679269) is ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CCO[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 ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is URNSYGPDGUIZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F13O3Si/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24-25H,2-4H2,1H3.
What are the key properties of ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 454.26 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dihydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 146679269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).