3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane

C55H105FO10Si9 — CID 140747069

IUPAC3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane
SMILESCO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCOC(F)(CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC
InChIInChI=1S/C55H105FO10Si9/c1-57-73(58-2,59-3)46-43-70(16,17)52-31-25-49(26-32-52)67(10,11)40-22-37-55(56,38-23-41-68(12,13)50-27-33-53(34-28-50)71(18,19)44-47-74(60-4,61-5)62-6)66-39-24-42-69(14,15)51-29-35-54(36-30-51)72(20,21)45-48-75(63-7,64-8)65-9/h25-36H,22-24,37-48H2,1-21H3
InChIKeyCHDOKEQTENKWDT-UHFFFAOYSA-N
MW1198.21 g/mol
LogP10.85
Rot. Bonds37

About 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane

3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane (PubChem CID 140747069) has the molecular formula C55H105FO10Si9 and a molecular weight of 1198.21 g/mol. Its IUPAC name is 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane
PubChem CID140747069
Molecular FormulaC55H105FO10Si9
Molecular Weight1198.21 g/mol
Exact Mass1196.56
IUPAC Name3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane
SMILESCO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCOC(F)(CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC
InChIInChI=1S/C55H105FO10Si9/c1-57-73(58-2,59-3)46-43-70(16,17)52-31-25-49(26-32-52)67(10,11)40-22-37-55(56,38-23-41-68(12,13)50-27-33-53(34-28-50)71(18,19)44-47-74(60-4,61-5)62-6)66-39-24-42-69(14,15)51-29-35-54(36-30-51)72(20,21)45-48-75(63-7,64-8)65-9/h25-36H,22-24,37-48H2,1-21H3
InChIKeyCHDOKEQTENKWDT-UHFFFAOYSA-N
XLogP10.85
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds37
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.21
LogP ≤ 510.85
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-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane with MolForge

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Related Compounds

1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 140691900
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
1,7-bis[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-ol
CID 162446231
carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
CID 162048777
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
[2-fluoro-1,5-bis(trimethoxysilyl)pentan-2-yl]oxymethyl-trimethoxysilane
CID 162451503
[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609345
3-[1,7-bis[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxypropyl-[dimethyl(propyl)silyl]oxy-dimethylsilane;[4-[dimethyl(propyl)silyl]phenyl]-[7-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]-4-[3-[[4-[dimethyl(propyl)silyl]phenyl]-dimethylsilyl]propyl]-4-methylheptyl]-dimethylsilane;6-methyl-6-pentoxyundecane
CID 160863250
3-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl-trimethoxysilane
CID 2733757
tris[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
CID 155643967
tris[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy]-[3-[[4-[11-ethylperoxyundecyl(dimethyl)silyl]phenyl]-dimethylsilyl]propyl]silane
CID 155643898

Frequently Asked Questions

What is the IUPAC name of 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane?
The IUPAC name of 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane (CID 140747069) is 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane.
What is the SMILES notation for 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane?
The canonical SMILES for 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane is CO[Si](CC[Si](C)(C)c1ccc([Si](C)(C)CCCOC(F)(CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)CCC[Si](C)(C)c2ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc2)cc1)(OC)OC.
What is the InChIKey of 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane?
The InChIKey is CHDOKEQTENKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H105FO10Si9/c1-57-73(58-2,59-3)46-43-70(16,17)52-31-25-49(26-32-52)67(10,11)40-22-37-55(56,38-23-41-68(12,13)50-27-33-53(34-28-50)71(18,19)44-47-74(60-4,61-5)62-6)66-39-24-42-69(14,15)51-29-35-54(36-30-51)72(20,21)45-48-75(63-7,64-8)65-9/h25-36H,22-24,37-48H2,1-21H3.
What are the key properties of 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane?
3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane has a molecular weight of 1198.21 g/mol, XLogP of 10.85, 37 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,7-bis[[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilyl]-4-fluoroheptan-4-yl]oxypropyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane is sourced from PubChem (CID 140747069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).