trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

C14H17F15O4Si — CID 19733902

IUPACtrimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C14H17F15O4Si/c1-30-34(31-2,32-3)6-4-5-33-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-7H2,1-3H3
InChIKeyZQXHRKFXRIJLNJ-UHFFFAOYSA-N
MW562.34 g/mol
LogP5.65
Rot. Bonds14

About trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane

trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (PubChem CID 19733902) has the molecular formula C14H17F15O4Si and a molecular weight of 562.34 g/mol. Its IUPAC name is trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
PubChem CID19733902
Molecular FormulaC14H17F15O4Si
Molecular Weight562.34 g/mol
Exact Mass562.07
IUPAC Nametrimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
SMILESCO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C14H17F15O4Si/c1-30-34(31-2,32-3)6-4-5-33-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-7H2,1-3H3
InChIKeyZQXHRKFXRIJLNJ-UHFFFAOYSA-N
XLogP5.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The IUPAC name of trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane (CID 19733902) is trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The canonical SMILES for trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is CO[Si](CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
The InChIKey is ZQXHRKFXRIJLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F15O4Si/c1-30-34(31-2,32-3)6-4-5-33-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-7H2,1-3H3.
What are the key properties of trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane?
trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane has a molecular weight of 562.34 g/mol, XLogP of 5.65, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane is sourced from PubChem (CID 19733902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).