4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane

C21H26F4O2Si — CID 91733057

IUPAC4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F4O2Si/c1-17(2)10-9-15-26-28(18-11-5-3-6-12-18,19-13-7-4-8-14-19)27-16-21(24,25)20(22)23/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyLZSUXHOBYVIXFH-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.61
Rot. Bonds11

About 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane

4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane (PubChem CID 91733057) has the molecular formula C21H26F4O2Si and a molecular weight of 414.52 g/mol. Its IUPAC name is 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane.

Molecular Properties

Compound Name4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane
PubChem CID91733057
Molecular FormulaC21H26F4O2Si
Molecular Weight414.52 g/mol
Exact Mass414.16
IUPAC Name4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane
SMILESCC(C)CCCO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F4O2Si/c1-17(2)10-9-15-26-28(18-11-5-3-6-12-18,19-13-7-4-8-14-19)27-16-21(24,25)20(22)23/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3
InChIKeyLZSUXHOBYVIXFH-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
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 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane?
The IUPAC name of 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane (CID 91733057) is 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane.
What is the SMILES notation for 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane?
The canonical SMILES for 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane is CC(C)CCCO[Si](OCC(F)(F)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane?
The InChIKey is LZSUXHOBYVIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4O2Si/c1-17(2)10-9-15-26-28(18-11-5-3-6-12-18,19-13-7-4-8-14-19)27-16-21(24,25)20(22)23/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3.
What are the key properties of 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane?
4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane has a molecular weight of 414.52 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-diphenyl-(2,2,3,3-tetrafluoropropoxy)silane is sourced from PubChem (CID 91733057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).