8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane

C41H95FO14Si7 — CID 154621513

IUPAC8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane
SMILESCO[Si](CCCCCCCC[Si]1(C)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O[Si](C)(CCCOCF)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C41H95FO14Si7/c1-43-61(44-2,45-3)38-29-23-17-14-20-26-34-57(10)53-58(11,35-27-21-15-18-24-30-39-62(46-4,47-5)48-6)55-60(13,37-32-33-52-41-42)56-59(12,54-57)36-28-22-16-19-25-31-40-63(49-7,50-8)51-9/h14-41H2,1-13H3
InChIKeyAUSDXOWVVFKLDS-UHFFFAOYSA-N
MW1027.80 g/mol
LogP11.34
Rot. Bonds41

About 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane

8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane (PubChem CID 154621513) has the molecular formula C41H95FO14Si7 and a molecular weight of 1027.80 g/mol. Its IUPAC name is 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane.

Molecular Properties

Compound Name8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane
PubChem CID154621513
Molecular FormulaC41H95FO14Si7
Molecular Weight1027.80 g/mol
Exact Mass1026.51
IUPAC Name8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane
SMILESCO[Si](CCCCCCCC[Si]1(C)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O[Si](C)(CCCOCF)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C41H95FO14Si7/c1-43-61(44-2,45-3)38-29-23-17-14-20-26-34-57(10)53-58(11,35-27-21-15-18-24-30-39-62(46-4,47-5)48-6)55-60(13,37-32-33-52-41-42)56-59(12,54-57)36-28-22-16-19-25-31-40-63(49-7,50-8)51-9/h14-41H2,1-13H3
InChIKeyAUSDXOWVVFKLDS-UHFFFAOYSA-N
XLogP11.34
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.80
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane?
The IUPAC name of 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane (CID 154621513) is 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane.
What is the SMILES notation for 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane?
The canonical SMILES for 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane is CO[Si](CCCCCCCC[Si]1(C)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O[Si](C)(CCCOCF)O[Si](C)(CCCCCCCC[Si](OC)(OC)OC)O1)(OC)OC.
What is the InChIKey of 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane?
The InChIKey is AUSDXOWVVFKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H95FO14Si7/c1-43-61(44-2,45-3)38-29-23-17-14-20-26-34-57(10)53-58(11,35-27-21-15-18-24-30-39-62(46-4,47-5)48-6)55-60(13,37-32-33-52-41-42)56-59(12,54-57)36-28-22-16-19-25-31-40-63(49-7,50-8)51-9/h14-41H2,1-13H3.
What are the key properties of 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane?
8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane has a molecular weight of 1027.80 g/mol, XLogP of 11.34, 41 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(8-trimethoxysilyloctyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]octyl-trimethoxysilane is sourced from PubChem (CID 154621513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).