8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium

C20H45O13Si2+ — CID 167353309

IUPAC8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium
SMILES[H]/[O+]=C/CCCCCCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOOOOOOOOO
InChIInChI=1S/C20H44O13Si2/c1-34(2,19-11-15-24-18-17-23-14-10-8-6-5-7-9-13-21)33-35(3,4)20-12-16-25-27-29-31-32-30-28-26-22/h13,22H,5-12,14-20H2,1-4H3/p+1
InChIKeyPWROIVYFCLPDSR-UHFFFAOYSA-O
MW549.74 g/mol
LogP4.75
Rot. Bonds28

About 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium

8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium (PubChem CID 167353309) has the molecular formula C20H45O13Si2+ and a molecular weight of 549.74 g/mol. Its IUPAC name is 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium.

Molecular Properties

Compound Name8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium
PubChem CID167353309
Molecular FormulaC20H45O13Si2+
Molecular Weight549.74 g/mol
Exact Mass549.24
IUPAC Name8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium
SMILES[H]/[O+]=C/CCCCCCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOOOOOOOOO
InChIInChI=1S/C20H44O13Si2/c1-34(2,19-11-15-24-18-17-23-14-10-8-6-5-7-9-13-21)33-35(3,4)20-12-16-25-27-29-31-32-30-28-26-22/h13,22H,5-12,14-20H2,1-4H3/p+1
InChIKeyPWROIVYFCLPDSR-UHFFFAOYSA-O
XLogP4.75
TPSA143.16 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.74
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium?
The IUPAC name of 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium (CID 167353309) is 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium.
What is the SMILES notation for 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium?
The canonical SMILES for 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium is [H]/[O+]=C/CCCCCCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOOOOOOOOO.
What is the InChIKey of 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium?
The InChIKey is PWROIVYFCLPDSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H44O13Si2/c1-34(2,19-11-15-24-18-17-23-14-10-8-6-5-7-9-13-21)33-35(3,4)20-12-16-25-27-29-31-32-30-28-26-22/h13,22H,5-12,14-20H2,1-4H3/p+1.
What are the key properties of 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium?
8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium has a molecular weight of 549.74 g/mol, XLogP of 4.75, 28 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[[dimethyl-[3-(trioxidanylperoxyperoxyperoxy)propyl]silyl]oxy-dimethylsilyl]propoxy]ethoxy]octylideneoxidanium is sourced from PubChem (CID 167353309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).