4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane

C22H51FO10Si3 — CID 140747068

IUPAC4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane
SMILESCO[Si](CCCCOC(F)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H51FO10Si3/c1-24-34(25-2,26-3)19-13-10-16-22(23,17-11-14-20-35(27-4,28-5)29-6)33-18-12-15-21-36(30-7,31-8)32-9/h10-21H2,1-9H3
InChIKeyBFRKSBPISBOZPZ-UHFFFAOYSA-N
MW578.90 g/mol
LogP4.42
Rot. Bonds25

About 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane

4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane (PubChem CID 140747068) has the molecular formula C22H51FO10Si3 and a molecular weight of 578.90 g/mol. Its IUPAC name is 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane.

Molecular Properties

Compound Name4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane
PubChem CID140747068
Molecular FormulaC22H51FO10Si3
Molecular Weight578.90 g/mol
Exact Mass578.28
IUPAC Name4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane
SMILESCO[Si](CCCCOC(F)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H51FO10Si3/c1-24-34(25-2,26-3)19-13-10-16-22(23,17-11-14-20-35(27-4,28-5)29-6)33-18-12-15-21-36(30-7,31-8)32-9/h10-21H2,1-9H3
InChIKeyBFRKSBPISBOZPZ-UHFFFAOYSA-N
XLogP4.42
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.90
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane?
The IUPAC name of 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane (CID 140747068) is 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane.
What is the SMILES notation for 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane?
The canonical SMILES for 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane is CO[Si](CCCCOC(F)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane?
The InChIKey is BFRKSBPISBOZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51FO10Si3/c1-24-34(25-2,26-3)19-13-10-16-22(23,17-11-14-20-35(27-4,28-5)29-6)33-18-12-15-21-36(30-7,31-8)32-9/h10-21H2,1-9H3.
What are the key properties of 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane?
4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane has a molecular weight of 578.90 g/mol, XLogP of 4.42, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-1,9-bis(trimethoxysilyl)nonan-5-yl]oxybutyl-trimethoxysilane is sourced from PubChem (CID 140747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).