2-fluoroethoxy-octadecoxy-diphenylsilane

C32H51FO2Si — CID 91717520

IUPAC2-fluoroethoxy-octadecoxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-36(35-30-28-33,31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3
InChIKeyRRPXCSHKRKKVEZ-UHFFFAOYSA-N
MW514.84 g/mol
LogP8.51
Rot. Bonds23

About 2-fluoroethoxy-octadecoxy-diphenylsilane

2-fluoroethoxy-octadecoxy-diphenylsilane (PubChem CID 91717520) has the molecular formula C32H51FO2Si and a molecular weight of 514.84 g/mol. Its IUPAC name is 2-fluoroethoxy-octadecoxy-diphenylsilane.

Molecular Properties

Compound Name2-fluoroethoxy-octadecoxy-diphenylsilane
PubChem CID91717520
Molecular FormulaC32H51FO2Si
Molecular Weight514.84 g/mol
Exact Mass514.36
IUPAC Name2-fluoroethoxy-octadecoxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-36(35-30-28-33,31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3
InChIKeyRRPXCSHKRKKVEZ-UHFFFAOYSA-N
XLogP8.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 58.51
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

butoxy-(2-fluoroethoxy)-diphenylsilane
CID 91717515
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
CID 91733059
2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
CID 91733049
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxy-octadecoxy-diphenylsilane?
The IUPAC name of 2-fluoroethoxy-octadecoxy-diphenylsilane (CID 91717520) is 2-fluoroethoxy-octadecoxy-diphenylsilane.
What is the SMILES notation for 2-fluoroethoxy-octadecoxy-diphenylsilane?
The canonical SMILES for 2-fluoroethoxy-octadecoxy-diphenylsilane is CCCCCCCCCCCCCCCCCCO[Si](OCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethoxy-octadecoxy-diphenylsilane?
The InChIKey is RRPXCSHKRKKVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51FO2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-36(35-30-28-33,31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3.
What are the key properties of 2-fluoroethoxy-octadecoxy-diphenylsilane?
2-fluoroethoxy-octadecoxy-diphenylsilane has a molecular weight of 514.84 g/mol, XLogP of 8.51, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxy-octadecoxy-diphenylsilane is sourced from PubChem (CID 91717520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).