[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate

C76H156O6Sn3 — CID 23071225

IUPAC[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(C)=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O
InChIInChI=1S/6C12H25.2C2H4O2.2O.3Sn/c6*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2(3)4;;;;;/h6*1,3-12H2,2H3;2*1H3,(H,3,4);;;;;/q;;;;;;;;;;;2*+1/p-2
InChIKeyRNIDKJYJBAKZKC-UHFFFAOYSA-L
MW1522.21 g/mol
LogP28.00
Rot. Bonds72

About [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate

[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate (PubChem CID 23071225) has the molecular formula C76H156O6Sn3 and a molecular weight of 1522.21 g/mol. Its IUPAC name is [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate.

Molecular Properties

Compound Name[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
PubChem CID23071225
Molecular FormulaC76H156O6Sn3
Molecular Weight1522.21 g/mol
Exact Mass1524.90
IUPAC Name[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate
SMILESCCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(C)=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O
InChIInChI=1S/6C12H25.2C2H4O2.2O.3Sn/c6*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2(3)4;;;;;/h6*1,3-12H2,2H3;2*1H3,(H,3,4);;;;;/q;;;;;;;;;;;2*+1/p-2
InChIKeyRNIDKJYJBAKZKC-UHFFFAOYSA-L
XLogP28.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds72
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001522.21
LogP ≤ 528.00
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
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
tripentylstannyl acetate
CID 16684347
[ethyl(dipentyl)stannyl] acetate
CID 119025994
[acetyloxy(dioctyl)stannyl] dodeca-2,4,6,8,10-pentaynoate
CID 160720484
[[butoxy(dioctyl)stannyl]oxy-dioctylstannyl] butyl carbonate
CID 141184710
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
[(2-acetyl-3-oxobutanoyl)oxy-dioctylstannyl] 2-acetyl-3-oxobutanoate
CID 140505069
(acetyloxy-ethyl-propylstannyl) acetate
CID 139995904
[(2-methylsulfanylacetyl)oxy-dioctylstannyl] 2-methylsulfanylacetate
CID 139785507
[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate
CID 139889435

Frequently Asked Questions

What is the IUPAC name of [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate?
The IUPAC name of [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate (CID 23071225) is [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate.
What is the SMILES notation for [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate?
The canonical SMILES for [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate is CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(OC(C)=O)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)O[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O.
What is the InChIKey of [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate?
The InChIKey is RNIDKJYJBAKZKC-UHFFFAOYSA-L. The full InChI is InChI=1S/6C12H25.2C2H4O2.2O.3Sn/c6*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2(3)4;;;;;/h6*1,3-12H2,2H3;2*1H3,(H,3,4);;;;;/q;;;;;;;;;;;2*+1/p-2.
What are the key properties of [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate?
[[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate has a molecular weight of 1522.21 g/mol, XLogP of 28.00, 72 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[acetyloxy(didodecyl)stannyl]oxy-didodecylstannyl]oxy-didodecylstannyl] acetate is sourced from PubChem (CID 23071225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).