[acetyloxy(dibenzyl)stannyl] acetate

C18H20O4Sn — CID 16683691

IUPAC[acetyloxy(dibenzyl)stannyl] acetate
SMILESCC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)OC(C)=O
InChIInChI=1S/2C7H7.2C2H4O2.Sn/c2*1-7-5-3-2-4-6-7;2*1-2(3)4;/h2*2-6H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyDSNVDMXSHOQBIH-UHFFFAOYSA-L
MW419.07 g/mol
LogP3.12
Rot. Bonds6

About [acetyloxy(dibenzyl)stannyl] acetate

[acetyloxy(dibenzyl)stannyl] acetate (PubChem CID 16683691) has the molecular formula C18H20O4Sn and a molecular weight of 419.07 g/mol. Its IUPAC name is [acetyloxy(dibenzyl)stannyl] acetate.

Molecular Properties

Compound Name[acetyloxy(dibenzyl)stannyl] acetate
PubChem CID16683691
Molecular FormulaC18H20O4Sn
Molecular Weight419.07 g/mol
Exact Mass420.04
IUPAC Name[acetyloxy(dibenzyl)stannyl] acetate
SMILESCC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)OC(C)=O
InChIInChI=1S/2C7H7.2C2H4O2.Sn/c2*1-7-5-3-2-4-6-7;2*1-2(3)4;/h2*2-6H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyDSNVDMXSHOQBIH-UHFFFAOYSA-L
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.07
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(dibenzyl)stannyl] acetate?
The IUPAC name of [acetyloxy(dibenzyl)stannyl] acetate (CID 16683691) is [acetyloxy(dibenzyl)stannyl] acetate.
What is the SMILES notation for [acetyloxy(dibenzyl)stannyl] acetate?
The canonical SMILES for [acetyloxy(dibenzyl)stannyl] acetate is CC(=O)O[Sn](Cc1ccccc1)(Cc1ccccc1)OC(C)=O.
What is the InChIKey of [acetyloxy(dibenzyl)stannyl] acetate?
The InChIKey is DSNVDMXSHOQBIH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7.2C2H4O2.Sn/c2*1-7-5-3-2-4-6-7;2*1-2(3)4;/h2*2-6H,1H2;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of [acetyloxy(dibenzyl)stannyl] acetate?
[acetyloxy(dibenzyl)stannyl] acetate has a molecular weight of 419.07 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(dibenzyl)stannyl] acetate is sourced from PubChem (CID 16683691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).