hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane

C13H17F13O2Si — CID 19771209

IUPAChydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane
SMILESC[Si](C)(O)CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F13O2Si/c1-29(2,27)7-3-5-28-6-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3
InChIKeyZBHKSQLXWSTNSJ-UHFFFAOYSA-N
MW480.34 g/mol
LogP5.72
Rot. Bonds11

About hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane

hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane (PubChem CID 19771209) has the molecular formula C13H17F13O2Si and a molecular weight of 480.34 g/mol. Its IUPAC name is hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane
PubChem CID19771209
Molecular FormulaC13H17F13O2Si
Molecular Weight480.34 g/mol
Exact Mass480.08
IUPAC Namehydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane
SMILESC[Si](C)(O)CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F13O2Si/c1-29(2,27)7-3-5-28-6-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3
InChIKeyZBHKSQLXWSTNSJ-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane?
The IUPAC name of hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane (CID 19771209) is hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane?
The canonical SMILES for hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane is C[Si](C)(O)CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane?
The InChIKey is ZBHKSQLXWSTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F13O2Si/c1-29(2,27)7-3-5-28-6-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3.
What are the key properties of hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane?
hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane has a molecular weight of 480.34 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propyl]silane is sourced from PubChem (CID 19771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).