[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane

C40H69FO4Si4 — CID 174150380

IUPAC[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane
SMILESCC(F)(CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1)CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C40H69FO4Si4/c1-40(41,22-10-26-46(2,3)36-14-18-38(19-15-36)48(6,7)28-12-24-42-30-34-32-44-34)23-11-27-47(4,5)37-16-20-39(21-17-37)49(8,9)29-13-25-43-31-35-33-45-35/h14-21,34-35H,10-13,22-33H2,1-9H3
InChIKeyYITACJAWZZPFES-UHFFFAOYSA-N
MW745.33 g/mol
LogP7.95
Rot. Bonds24

About [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane

[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane (PubChem CID 174150380) has the molecular formula C40H69FO4Si4 and a molecular weight of 745.33 g/mol. Its IUPAC name is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane
PubChem CID174150380
Molecular FormulaC40H69FO4Si4
Molecular Weight745.33 g/mol
Exact Mass744.43
IUPAC Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane
SMILESCC(F)(CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1)CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C40H69FO4Si4/c1-40(41,22-10-26-46(2,3)36-14-18-38(19-15-36)48(6,7)28-12-24-42-30-34-32-44-34)23-11-27-47(4,5)37-16-20-39(21-17-37)49(8,9)29-13-25-43-31-35-33-45-35/h14-21,34-35H,10-13,22-33H2,1-9H3
InChIKeyYITACJAWZZPFES-UHFFFAOYSA-N
XLogP7.95
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.33
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane?
The IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane (CID 174150380) is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane.
What is the SMILES notation for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane?
The canonical SMILES for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane is CC(F)(CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1)CCC[Si](C)(C)c1ccc([Si](C)(C)CCCOCC2CO2)cc1.
What is the InChIKey of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane?
The InChIKey is YITACJAWZZPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H69FO4Si4/c1-40(41,22-10-26-46(2,3)36-14-18-38(19-15-36)48(6,7)28-12-24-42-30-34-32-44-34)23-11-27-47(4,5)37-16-20-39(21-17-37)49(8,9)29-13-25-43-31-35-33-45-35/h14-21,34-35H,10-13,22-33H2,1-9H3.
What are the key properties of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane?
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane has a molecular weight of 745.33 g/mol, XLogP of 7.95, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[7-[[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-dimethylsilyl]-4-fluoro-4-methylheptyl]-dimethylsilane is sourced from PubChem (CID 174150380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).