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

C23H59FO14Si7 — CID 176847533

IUPAC2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
SMILESCO[Si](CC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C23H59FO14Si7/c1-25-43(26-2,27-3)20-17-40(11)35-39(10,16-14-15-34-23-24)36-41(12,18-21-44(28-4,29-5)30-6)38-42(13,37-40)19-22-45(31-7,32-8)33-9/h14-23H2,1-13H3
InChIKeyFCIUHKZTQARGEX-UHFFFAOYSA-N
MW775.31 g/mol
LogP4.32
Rot. Bonds23

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

2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane (PubChem CID 176847533) has the molecular formula C23H59FO14Si7 and a molecular weight of 775.31 g/mol. Its IUPAC name is 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
PubChem CID176847533
Molecular FormulaC23H59FO14Si7
Molecular Weight775.31 g/mol
Exact Mass774.23
IUPAC Name2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane
SMILESCO[Si](CC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C23H59FO14Si7/c1-25-43(26-2,27-3)20-17-40(11)35-39(10,16-14-15-34-23-24)36-41(12,18-21-44(28-4,29-5)30-6)38-42(13,37-40)19-22-45(31-7,32-8)33-9/h14-23H2,1-13H3
InChIKeyFCIUHKZTQARGEX-UHFFFAOYSA-N
XLogP4.32
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.31
LogP ≤ 54.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The IUPAC name of 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane (CID 176847533) is 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane is CO[Si](CC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CC[Si](OC)(OC)OC)O[Si](C)(CC[Si](OC)(OC)OC)O1)(OC)OC.
What is the InChIKey of 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
The InChIKey is FCIUHKZTQARGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H59FO14Si7/c1-25-43(26-2,27-3)20-17-40(11)35-39(10,16-14-15-34-23-24)36-41(12,18-21-44(28-4,29-5)30-6)38-42(13,37-40)19-22-45(31-7,32-8)33-9/h14-23H2,1-13H3.
What are the key properties of 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane?
2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane has a molecular weight of 775.31 g/mol, XLogP of 4.32, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(2-trimethoxysilylethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]ethyl-trimethoxysilane is sourced from PubChem (CID 176847533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).