diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

C20H31F5O2Si — CID 91744672

IUPACdiethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H31F5O2Si/c1-4-7-8-9-10-11-12-13-26-28(5-2,6-3)27-14-15-16(21)18(23)20(25)19(24)17(15)22/h4-14H2,1-3H3
InChIKeyZGROGCWEPOIEPE-UHFFFAOYSA-N
MW426.54 g/mol
LogP7.15
Rot. Bonds14

About diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane

diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (PubChem CID 91744672) has the molecular formula C20H31F5O2Si and a molecular weight of 426.54 g/mol. Its IUPAC name is diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.

Molecular Properties

Compound Namediethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
PubChem CID91744672
Molecular FormulaC20H31F5O2Si
Molecular Weight426.54 g/mol
Exact Mass426.20
IUPAC Namediethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
SMILESCCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H31F5O2Si/c1-4-7-8-9-10-11-12-13-26-28(5-2,6-3)27-14-15-16(21)18(23)20(25)19(24)17(15)22/h4-14H2,1-3H3
InChIKeyZGROGCWEPOIEPE-UHFFFAOYSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 57.15
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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Related Compounds

diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
CID 91745150
heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
CID 91745817
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-(2-methoxyethoxy)-octoxysilane
CID 91739391
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142

Frequently Asked Questions

What is the IUPAC name of diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The IUPAC name of diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane (CID 91744672) is diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane.
What is the SMILES notation for diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The canonical SMILES for diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is CCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
The InChIKey is ZGROGCWEPOIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F5O2Si/c1-4-7-8-9-10-11-12-13-26-28(5-2,6-3)27-14-15-16(21)18(23)20(25)19(24)17(15)22/h4-14H2,1-3H3.
What are the key properties of diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane?
diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane has a molecular weight of 426.54 g/mol, XLogP of 7.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane is sourced from PubChem (CID 91744672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).