ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane

C27H57FO2Si — CID 152723847

IUPACethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane
SMILESCCCCCCCCCCCCCC(C)O[Si](CC)(CCCCCCCCF)OCC
InChIInChI=1S/C27H57FO2Si/c1-5-8-9-10-11-12-13-14-15-18-21-24-27(4)30-31(7-3,29-6-2)26-23-20-17-16-19-22-25-28/h27H,5-26H2,1-4H3
InChIKeyZWELSHRQVODLOZ-UHFFFAOYSA-N
MW460.84 g/mol
LogP9.90
Rot. Bonds25

About ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane

ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane (PubChem CID 152723847) has the molecular formula C27H57FO2Si and a molecular weight of 460.84 g/mol. Its IUPAC name is ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane.

Molecular Properties

Compound Nameethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane
PubChem CID152723847
Molecular FormulaC27H57FO2Si
Molecular Weight460.84 g/mol
Exact Mass460.41
IUPAC Nameethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane
SMILESCCCCCCCCCCCCCC(C)O[Si](CC)(CCCCCCCCF)OCC
InChIInChI=1S/C27H57FO2Si/c1-5-8-9-10-11-12-13-14-15-18-21-24-27(4)30-31(7-3,29-6-2)26-23-20-17-16-19-22-25-28/h27H,5-26H2,1-4H3
InChIKeyZWELSHRQVODLOZ-UHFFFAOYSA-N
XLogP9.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.84
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
(Perfluorohexyl)ethyltriethoxysilane
CID 129830679
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478
2-nonanol, tBDMS
CID 6430237
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
1-Octadecanol, triethylsilyl ether
CID 523472
1-Triethylsilyloxyheptadecane
CID 631085
Cyclododecanol, TMS
CID 526025

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane?
The IUPAC name of ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane (CID 152723847) is ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane.
What is the SMILES notation for ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane?
The canonical SMILES for ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane is CCCCCCCCCCCCCC(C)O[Si](CC)(CCCCCCCCF)OCC.
What is the InChIKey of ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane?
The InChIKey is ZWELSHRQVODLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57FO2Si/c1-5-8-9-10-11-12-13-14-15-18-21-24-27(4)30-31(7-3,29-6-2)26-23-20-17-16-19-22-25-28/h27H,5-26H2,1-4H3.
What are the key properties of ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane?
ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane has a molecular weight of 460.84 g/mol, XLogP of 9.90, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-(8-fluorooctyl)-pentadecan-2-yloxysilane is sourced from PubChem (CID 152723847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).