butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane

C40H86O5Sn2 — CID 150262584

IUPACbutylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(OOCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OOCCCC
InChIInChI=1S/4C8H17.2C4H10O2.O.2Sn/c4*1-3-5-7-8-6-4-2;2*1-2-3-4-6-5;;;/h4*1,3-8H2,2H3;2*5H,2-4H2,1H3;;;/q;;;;;;;2*+1/p-2
InChIKeySYQOKQNEFXZFFI-UHFFFAOYSA-L
MW884.54 g/mol
LogP14.83
Rot. Bonds40

About butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane

butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane (PubChem CID 150262584) has the molecular formula C40H86O5Sn2 and a molecular weight of 884.54 g/mol. Its IUPAC name is butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane.

Molecular Properties

Compound Namebutylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane
PubChem CID150262584
Molecular FormulaC40H86O5Sn2
Molecular Weight884.54 g/mol
Exact Mass886.45
IUPAC Namebutylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(OOCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OOCCCC
InChIInChI=1S/4C8H17.2C4H10O2.O.2Sn/c4*1-3-5-7-8-6-4-2;2*1-2-3-4-6-5;;;/h4*1,3-8H2,2H3;2*5H,2-4H2,1H3;;;/q;;;;;;;2*+1/p-2
InChIKeySYQOKQNEFXZFFI-UHFFFAOYSA-L
XLogP14.83
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds40
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.54
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dioctyl(dipropoxy)stannane
CID 87371484
[dibutyl-[dibutyl(trimethylsilyloxy)stannyl]oxystannyl]oxy-trimethylsilane
CID 19824448
1-octylperoxynonane
CID 151564626
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
1-butylperoxybutane
CID 159275797
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate
CID 141184710
dibutyl-di(nonoxy)stannane
CID 87642820
[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
dibutyl-[dibutyl(dodecyl)stannyl]oxy-dodecylstannane
CID 18432072

Frequently Asked Questions

What is the IUPAC name of butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane?
The IUPAC name of butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane (CID 150262584) is butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane.
What is the SMILES notation for butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane?
The canonical SMILES for butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(OOCCCC)O[Sn](CCCCCCCC)(CCCCCCCC)OOCCCC.
What is the InChIKey of butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane?
The InChIKey is SYQOKQNEFXZFFI-UHFFFAOYSA-L. The full InChI is InChI=1S/4C8H17.2C4H10O2.O.2Sn/c4*1-3-5-7-8-6-4-2;2*1-2-3-4-6-5;;;/h4*1,3-8H2,2H3;2*5H,2-4H2,1H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane?
butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane has a molecular weight of 884.54 g/mol, XLogP of 14.83, 40 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butylperoxy-[butylperoxy(dioctyl)stannyl]oxy-dioctylstannane is sourced from PubChem (CID 150262584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).