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

C22H35F5O2Si — CID 91745150

IUPACdiethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H35F5O2Si/c1-4-7-8-9-10-11-12-13-14-15-28-30(5-2,6-3)29-16-17-18(23)20(25)22(27)21(26)19(17)24/h4-16H2,1-3H3
InChIKeyUXZBDCDHUORYHG-UHFFFAOYSA-N
MW454.60 g/mol
LogP7.93
Rot. Bonds16

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

diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane (PubChem CID 91745150) has the molecular formula C22H35F5O2Si and a molecular weight of 454.60 g/mol. Its IUPAC name is diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane.

Molecular Properties

Compound Namediethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
PubChem CID91745150
Molecular FormulaC22H35F5O2Si
Molecular Weight454.60 g/mol
Exact Mass454.23
IUPAC Namediethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H35F5O2Si/c1-4-7-8-9-10-11-12-13-14-15-28-30(5-2,6-3)29-16-17-18(23)20(25)22(27)21(26)19(17)24/h4-16H2,1-3H3
InChIKeyUXZBDCDHUORYHG-UHFFFAOYSA-N
XLogP7.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 57.93
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'}

Analyze diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl-nonoxy-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
CID 91744672
heptadecoxy-dimethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]silane
CID 91745817
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentoxy-undecoxysilane
CID 91742318
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-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane?
The IUPAC name of diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane (CID 91745150) is diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane.
What is the SMILES notation for diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane?
The canonical SMILES for diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane?
The InChIKey is UXZBDCDHUORYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F5O2Si/c1-4-7-8-9-10-11-12-13-14-15-28-30(5-2,6-3)29-16-17-18(23)20(25)22(27)21(26)19(17)24/h4-16H2,1-3H3.
What are the key properties of diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane?
diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane has a molecular weight of 454.60 g/mol, XLogP of 7.93, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2,3,4,5,6-pentafluorophenyl)methoxy]-undecoxysilane is sourced from PubChem (CID 91745150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).