[acetyloxy(ditert-butyl)stannyl] acetate

C12H24O4Sn — CID 16712568

IUPAC[acetyloxy(ditert-butyl)stannyl] acetate
SMILESCC(=O)O[Sn](OC(C)=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C4H9.2C2H4O2.Sn/c2*1-4(2)3;2*1-2(3)4;/h2*1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeySBRQYVYPHCFSDQ-UHFFFAOYSA-L
MW351.03 g/mol
LogP3.15
Rot. Bonds2

About [acetyloxy(ditert-butyl)stannyl] acetate

[acetyloxy(ditert-butyl)stannyl] acetate (PubChem CID 16712568) has the molecular formula C12H24O4Sn and a molecular weight of 351.03 g/mol. Its IUPAC name is [acetyloxy(ditert-butyl)stannyl] acetate.

Molecular Properties

Compound Name[acetyloxy(ditert-butyl)stannyl] acetate
PubChem CID16712568
Molecular FormulaC12H24O4Sn
Molecular Weight351.03 g/mol
Exact Mass352.07
IUPAC Name[acetyloxy(ditert-butyl)stannyl] acetate
SMILESCC(=O)O[Sn](OC(C)=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C4H9.2C2H4O2.Sn/c2*1-4(2)3;2*1-2(3)4;/h2*1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeySBRQYVYPHCFSDQ-UHFFFAOYSA-L
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.03
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(ditert-butyl)stannyl] acetate?
The IUPAC name of [acetyloxy(ditert-butyl)stannyl] acetate (CID 16712568) is [acetyloxy(ditert-butyl)stannyl] acetate.
What is the SMILES notation for [acetyloxy(ditert-butyl)stannyl] acetate?
The canonical SMILES for [acetyloxy(ditert-butyl)stannyl] acetate is CC(=O)O[Sn](OC(C)=O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [acetyloxy(ditert-butyl)stannyl] acetate?
The InChIKey is SBRQYVYPHCFSDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-4(2)3;2*1-2(3)4;/h2*1-3H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of [acetyloxy(ditert-butyl)stannyl] acetate?
[acetyloxy(ditert-butyl)stannyl] acetate has a molecular weight of 351.03 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(ditert-butyl)stannyl] acetate is sourced from PubChem (CID 16712568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).