3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane

C22H53FO10Si4 — CID 154621512

IUPAC3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane
SMILESCO[Si](CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H53FO10Si4/c1-24-35(25-2,26-3)19-11-16-34(15-10-14-33-22-23,17-12-20-36(27-4,28-5)29-6)18-13-21-37(30-7,31-8)32-9/h10-22H2,1-9H3
InChIKeyWQEZLGNGINHWSJ-UHFFFAOYSA-N
MW609.00 g/mol
LogP4.57
Rot. Bonds26

About 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane

3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane (PubChem CID 154621512) has the molecular formula C22H53FO10Si4 and a molecular weight of 609.00 g/mol. Its IUPAC name is 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane.

Molecular Properties

Compound Name3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane
PubChem CID154621512
Molecular FormulaC22H53FO10Si4
Molecular Weight609.00 g/mol
Exact Mass608.27
IUPAC Name3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane
SMILESCO[Si](CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H53FO10Si4/c1-24-35(25-2,26-3)19-11-16-34(15-10-14-33-22-23,17-12-20-36(27-4,28-5)29-6)18-13-21-37(30-7,31-8)32-9/h10-22H2,1-9H3
InChIKeyWQEZLGNGINHWSJ-UHFFFAOYSA-N
XLogP4.57
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.00
LogP ≤ 54.57
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'}

Analyze 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane?
The IUPAC name of 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane (CID 154621512) is 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane.
What is the SMILES notation for 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane?
The canonical SMILES for 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane is CO[Si](CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane?
The InChIKey is WQEZLGNGINHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H53FO10Si4/c1-24-35(25-2,26-3)19-11-16-34(15-10-14-33-22-23,17-12-20-36(27-4,28-5)29-6)18-13-21-37(30-7,31-8)32-9/h10-22H2,1-9H3.
What are the key properties of 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane?
3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane has a molecular weight of 609.00 g/mol, XLogP of 4.57, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)propyl-tris(3-trimethoxysilylpropyl)silane is sourced from PubChem (CID 154621512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).