[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane

C22H55FO11Si5 — CID 140747060

IUPAC[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H55FO11Si5/c1-24-37(25-2,26-3)18-14-16-22(23,17-15-19-38(27-4,28-5)29-6)33-36(12,13)34-35(10,11)20-21-39(30-7,31-8)32-9/h14-21H2,1-13H3
InChIKeyMEGJOPNKRQIAEP-UHFFFAOYSA-N
MW655.10 g/mol
LogP4.79
Rot. Bonds24

About [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane

[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane (PubChem CID 140747060) has the molecular formula C22H55FO11Si5 and a molecular weight of 655.10 g/mol. Its IUPAC name is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane
PubChem CID140747060
Molecular FormulaC22H55FO11Si5
Molecular Weight655.10 g/mol
Exact Mass654.26
IUPAC Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane
SMILESCO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C22H55FO11Si5/c1-24-37(25-2,26-3)18-14-16-22(23,17-15-19-38(27-4,28-5)29-6)33-36(12,13)34-35(10,11)20-21-39(30-7,31-8)32-9/h14-21H2,1-13H3
InChIKeyMEGJOPNKRQIAEP-UHFFFAOYSA-N
XLogP4.79
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.10
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane?
The IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane (CID 140747060) is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane?
The canonical SMILES for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane is CO[Si](CCCC(F)(CCC[Si](OC)(OC)OC)O[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane?
The InChIKey is MEGJOPNKRQIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H55FO11Si5/c1-24-37(25-2,26-3)18-14-16-22(23,17-15-19-38(27-4,28-5)29-6)33-36(12,13)34-35(10,11)20-21-39(30-7,31-8)32-9/h14-21H2,1-13H3.
What are the key properties of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane?
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane has a molecular weight of 655.10 g/mol, XLogP of 4.79, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-[4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 140747060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).