dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane

C21H33F5OSi — CID 626690

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane
SMILESCCCCCCCCCC(CCC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H33F5OSi/c1-5-7-8-9-10-11-12-14-15(13-6-2)27-28(3,4)21-19(25)17(23)16(22)18(24)20(21)26/h15H,5-14H2,1-4H3
InChIKeyJARSZCNTHPXLDW-UHFFFAOYSA-N
MW424.57 g/mol
LogP7.12
Rot. Bonds13

About dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane

dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane (PubChem CID 626690) has the molecular formula C21H33F5OSi and a molecular weight of 424.57 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane
PubChem CID626690
Molecular FormulaC21H33F5OSi
Molecular Weight424.57 g/mol
Exact Mass424.22
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane
SMILESCCCCCCCCCC(CCC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H33F5OSi/c1-5-7-8-9-10-11-12-14-15(13-6-2)27-28(3,4)21-19(25)17(23)16(22)18(24)20(21)26/h15H,5-14H2,1-4H3
InChIKeyJARSZCNTHPXLDW-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dimethyl-tridecan-4-yloxy-trimethylsilylsilane
CID 590056
ethyl-dimethyl-tridecan-4-yloxysilane
CID 554753
ethyl-dimethyl-tetradecan-4-yloxysilane
CID 534475
dimethyl-pentadecan-4-yloxy-propan-2-ylsilane
CID 554330
decan-5-yloxy(trimethyl)silane
CID 553210
ethenyl-dimethyl-tridecan-4-yloxysilane
CID 593808
dodecan-6-yloxy-ethyl-dimethylsilane
CID 536242
4-icosan-4-yloxyicosane
CID 87313284
dichloromethyl-dimethyl-tridecan-6-yloxysilane
CID 554263
4-hexadecan-5-yloxyhexadecane
CID 57069400
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
CID 115783388
cyclohexyl-dimethyl-tetradecan-4-yloxysilane
CID 554902

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane (CID 626690) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane is CCCCCCCCCC(CCC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane?
The InChIKey is JARSZCNTHPXLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F5OSi/c1-5-7-8-9-10-11-12-14-15(13-6-2)27-28(3,4)21-19(25)17(23)16(22)18(24)20(21)26/h15H,5-14H2,1-4H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane has a molecular weight of 424.57 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-tridecan-4-yloxysilane is sourced from PubChem (CID 626690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).