diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane

C27H57FO3Si — CID 175556758

IUPACdiethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCF)O[Si](CC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-10-11-12-13-14-15-16-17-18-21-24-27(5,25-22-19-20-23-26-28)31-32(9-4,29-7-2)30-8-3/h6-26H2,1-5H3
InChIKeyAEXYYJJALSWBCW-UHFFFAOYSA-N
MW476.83 g/mol
LogP9.41
Rot. Bonds25

About diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane

diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane (PubChem CID 175556758) has the molecular formula C27H57FO3Si and a molecular weight of 476.83 g/mol. Its IUPAC name is diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane.

Molecular Properties

Compound Namediethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
PubChem CID175556758
Molecular FormulaC27H57FO3Si
Molecular Weight476.83 g/mol
Exact Mass476.41
IUPAC Namediethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane
SMILESCCCCCCCCCCCCCC(C)(CCCCCCF)O[Si](CC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-10-11-12-13-14-15-16-17-18-21-24-27(5,25-22-19-20-23-26-28)31-32(9-4,29-7-2)30-8-3/h6-26H2,1-5H3
InChIKeyAEXYYJJALSWBCW-UHFFFAOYSA-N
XLogP9.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane?
The IUPAC name of diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane (CID 175556758) is diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane.
What is the SMILES notation for diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane?
The canonical SMILES for diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane is CCCCCCCCCCCCCC(C)(CCCCCCF)O[Si](CC)(OCC)OCC.
What is the InChIKey of diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane?
The InChIKey is AEXYYJJALSWBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57FO3Si/c1-6-10-11-12-13-14-15-16-17-18-21-24-27(5,25-22-19-20-23-26-28)31-32(9-4,29-7-2)30-8-3/h6-26H2,1-5H3.
What are the key properties of diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane?
diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane has a molecular weight of 476.83 g/mol, XLogP of 9.41, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-(1-fluoro-7-methylicosan-7-yl)oxysilane is sourced from PubChem (CID 175556758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).