[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate

C40H84O6Sn3 — CID 23071227

IUPAC[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
SMILESCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC
InChIInChI=1S/2C8H16O2.6C4H9.2O.3Sn/c2*1-2-3-4-5-6-7-8(9)10;6*1-3-4-2;;;;;/h2*2-7H2,1H3,(H,9,10);6*1,3-4H2,2H3;;;;;/q;;;;;;;;;;;2*+1/p-2
InChIKeyAUKAJHCDLXIJQC-UHFFFAOYSA-L
MW1017.24 g/mol
LogP13.95
Rot. Bonds36

About [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate

[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate (PubChem CID 23071227) has the molecular formula C40H84O6Sn3 and a molecular weight of 1017.24 g/mol. Its IUPAC name is [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate.

Molecular Properties

Compound Name[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
PubChem CID23071227
Molecular FormulaC40H84O6Sn3
Molecular Weight1017.24 g/mol
Exact Mass1020.33
IUPAC Name[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
SMILESCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC
InChIInChI=1S/2C8H16O2.6C4H9.2O.3Sn/c2*1-2-3-4-5-6-7-8(9)10;6*1-3-4-2;;;;;/h2*2-7H2,1H3,(H,9,10);6*1,3-4H2,2H3;;;;;/q;;;;;;;;;;;2*+1/p-2
InChIKeyAUKAJHCDLXIJQC-UHFFFAOYSA-L
XLogP13.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.24
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[[butanoyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] butanoate
CID 23071239
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
tributylstannyl octanoate
CID 16683987
tributylstannyl dodecanoate
CID 16683295
[butanoyloxy(dibutyl)stannyl] butanoate
CID 16684199
[dibutyl(7,7-dimethyloctanoyloxy)stannyl] 7,7-dimethyloctanoate
CID 90470537
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
CID 23071225
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477

Frequently Asked Questions

What is the IUPAC name of [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate?
The IUPAC name of [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate (CID 23071227) is [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate.
What is the SMILES notation for [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate?
The canonical SMILES for [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate is CCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC.
What is the InChIKey of [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate?
The InChIKey is AUKAJHCDLXIJQC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.6C4H9.2O.3Sn/c2*1-2-3-4-5-6-7-8(9)10;6*1-3-4-2;;;;;/h2*2-7H2,1H3,(H,9,10);6*1,3-4H2,2H3;;;;;/q;;;;;;;;;;;2*+1/p-2.
What are the key properties of [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate?
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate has a molecular weight of 1017.24 g/mol, XLogP of 13.95, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate is sourced from PubChem (CID 23071227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).