3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane

C31H75FO11Si6 — CID 155621756

IUPAC3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane
SMILESCOCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C31H75FO11Si6/c1-33-21-22-40-19-14-23-44(8,9)42-46(12,13)43-45(10,11)24-16-26-47(25-15-20-41-31-32,27-17-29-48(34-2,35-3)36-4)28-18-30-49(37-5,38-6)39-7/h14-31H2,1-13H3
InChIKeyJKGRCPMSGYBPKE-UHFFFAOYSA-N
MW811.44 g/mol
LogP7.89
Rot. Bonds34

About 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane

3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane (PubChem CID 155621756) has the molecular formula C31H75FO11Si6 and a molecular weight of 811.44 g/mol. Its IUPAC name is 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane.

Molecular Properties

Compound Name3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane
PubChem CID155621756
Molecular FormulaC31H75FO11Si6
Molecular Weight811.44 g/mol
Exact Mass810.39
IUPAC Name3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane
SMILESCOCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C31H75FO11Si6/c1-33-21-22-40-19-14-23-44(8,9)42-46(12,13)43-45(10,11)24-16-26-47(25-15-20-41-31-32,27-17-29-48(34-2,35-3)36-4)28-18-30-49(37-5,38-6)39-7/h14-31H2,1-13H3
InChIKeyJKGRCPMSGYBPKE-UHFFFAOYSA-N
XLogP7.89
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds34
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.44
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane?
The IUPAC name of 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane (CID 155621756) is 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane.
What is the SMILES notation for 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane?
The canonical SMILES for 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane is COCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC[Si](CCCOCF)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane?
The InChIKey is JKGRCPMSGYBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H75FO11Si6/c1-33-21-22-40-19-14-23-44(8,9)42-46(12,13)43-45(10,11)24-16-26-47(25-15-20-41-31-32,27-17-29-48(34-2,35-3)36-4)28-18-30-49(37-5,38-6)39-7/h14-31H2,1-13H3.
What are the key properties of 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane?
3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane has a molecular weight of 811.44 g/mol, XLogP of 7.89, 34 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)propyl-[3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-bis(3-trimethoxysilylpropyl)silane is sourced from PubChem (CID 155621756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).