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

C26H65FO14Si7 — CID 154621518

IUPAC3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C26H65FO14Si7/c1-28-46(29-2,30-3)23-15-20-43(11)38-42(10,19-14-18-37-26-27)39-44(12,21-16-24-47(31-4,32-5)33-6)41-45(13,40-43)22-17-25-48(34-7,35-8)36-9/h14-26H2,1-13H3
InChIKeyFQMYGJYMNMVZLN-UHFFFAOYSA-N
MW817.39 g/mol
LogP5.49
Rot. Bonds26

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

3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (PubChem CID 154621518) has the molecular formula C26H65FO14Si7 and a molecular weight of 817.39 g/mol. Its IUPAC name is 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
PubChem CID154621518
Molecular FormulaC26H65FO14Si7
Molecular Weight817.39 g/mol
Exact Mass816.27
IUPAC Name3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C26H65FO14Si7/c1-28-46(29-2,30-3)23-15-20-43(11)38-42(10,19-14-18-37-26-27)39-44(12,21-16-24-47(31-4,32-5)33-6)41-45(13,40-43)22-17-25-48(34-7,35-8)36-9/h14-26H2,1-13H3
InChIKeyFQMYGJYMNMVZLN-UHFFFAOYSA-N
XLogP5.49
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.39
LogP ≤ 55.49
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 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane with MolForge

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Related Compounds

CID 101134272
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CID 58238484
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CID 58361454
CID 58361454
CID 58757764
CID 58757764
CID 59628132
CID 59628132
CID 89592501
CID 89592501
CID 140665267
CID 140665267
CID 140691894
CID 140691894
CID 154621512
CID 154621512
CID 154621513
CID 154621513
CID 155621756
CID 155621756
CID 155621762
CID 155621762

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The IUPAC name of 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (CID 154621518) is 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The canonical SMILES for 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is CO[Si](CCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC.
What is the InChIKey of 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The InChIKey is FQMYGJYMNMVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H65FO14Si7/c1-28-46(29-2,30-3)23-15-20-43(11)38-42(10,19-14-18-37-26-27)39-44(12,21-16-24-47(31-4,32-5)33-6)41-45(13,40-43)22-17-25-48(34-7,35-8)36-9/h14-26H2,1-13H3.
What are the key properties of 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane has a molecular weight of 817.39 g/mol, XLogP of 5.49, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(fluoromethoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is sourced from PubChem (CID 154621518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).