[acetyloxy(dicyclopentyl)stannyl] acetate

C14H24O4Sn — CID 177089634

IUPAC[acetyloxy(dicyclopentyl)stannyl] acetate
SMILESCC(=O)O[Sn](OC(C)=O)(C1CCCC1)C1CCCC1
InChIInChI=1S/2C5H9.2C2H4O2.Sn/c2*1-2-4-5-3-1;2*1-2(3)4;/h2*1H,2-5H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyOCJYOHJTFAUSKR-UHFFFAOYSA-L
MW375.05 g/mol
LogP3.44
Rot. Bonds4

About [acetyloxy(dicyclopentyl)stannyl] acetate

[acetyloxy(dicyclopentyl)stannyl] acetate (PubChem CID 177089634) has the molecular formula C14H24O4Sn and a molecular weight of 375.05 g/mol. Its IUPAC name is [acetyloxy(dicyclopentyl)stannyl] acetate.

Molecular Properties

Compound Name[acetyloxy(dicyclopentyl)stannyl] acetate
PubChem CID177089634
Molecular FormulaC14H24O4Sn
Molecular Weight375.05 g/mol
Exact Mass376.07
IUPAC Name[acetyloxy(dicyclopentyl)stannyl] acetate
SMILESCC(=O)O[Sn](OC(C)=O)(C1CCCC1)C1CCCC1
InChIInChI=1S/2C5H9.2C2H4O2.Sn/c2*1-2-4-5-3-1;2*1-2(3)4;/h2*1H,2-5H2;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyOCJYOHJTFAUSKR-UHFFFAOYSA-L
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(dicyclopentyl)stannyl] acetate?
The IUPAC name of [acetyloxy(dicyclopentyl)stannyl] acetate (CID 177089634) is [acetyloxy(dicyclopentyl)stannyl] acetate.
What is the SMILES notation for [acetyloxy(dicyclopentyl)stannyl] acetate?
The canonical SMILES for [acetyloxy(dicyclopentyl)stannyl] acetate is CC(=O)O[Sn](OC(C)=O)(C1CCCC1)C1CCCC1.
What is the InChIKey of [acetyloxy(dicyclopentyl)stannyl] acetate?
The InChIKey is OCJYOHJTFAUSKR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H9.2C2H4O2.Sn/c2*1-2-4-5-3-1;2*1-2(3)4;/h2*1H,2-5H2;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of [acetyloxy(dicyclopentyl)stannyl] acetate?
[acetyloxy(dicyclopentyl)stannyl] acetate has a molecular weight of 375.05 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(dicyclopentyl)stannyl] acetate is sourced from PubChem (CID 177089634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).