diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

C16H24F4O2Si — CID 90173067

IUPACdiethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESCCO[Si](C)(CCCCCc1cc(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C16H24F4O2Si/c1-4-21-23(3,22-5-2)10-8-6-7-9-12-11-13(17)15(19)16(20)14(12)18/h11H,4-10H2,1-3H3
InChIKeyGBZAPZATZZWLGB-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.10
Rot. Bonds10

About diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (PubChem CID 90173067) has the molecular formula C16H24F4O2Si and a molecular weight of 352.44 g/mol. Its IUPAC name is diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
PubChem CID90173067
Molecular FormulaC16H24F4O2Si
Molecular Weight352.44 g/mol
Exact Mass352.15
IUPAC Namediethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESCCO[Si](C)(CCCCCc1cc(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C16H24F4O2Si/c1-4-21-23(3,22-5-2)10-8-6-7-9-12-11-13(17)15(19)16(20)14(12)18/h11H,4-10H2,1-3H3
InChIKeyGBZAPZATZZWLGB-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The IUPAC name of diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (CID 90173067) is diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.
What is the SMILES notation for diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The canonical SMILES for diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is CCO[Si](C)(CCCCCc1cc(F)c(F)c(F)c1F)OCC.
What is the InChIKey of diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The InChIKey is GBZAPZATZZWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4O2Si/c1-4-21-23(3,22-5-2)10-8-6-7-9-12-11-13(17)15(19)16(20)14(12)18/h11H,4-10H2,1-3H3.
What are the key properties of diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane has a molecular weight of 352.44 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is sourced from PubChem (CID 90173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).