diacetyloxystibanyl acetate

C6H9O6Sb — CID 16685080

IUPACdiacetyloxystibanyl acetate
SMILESCC(=O)O[Sb](OC(C)=O)OC(C)=O
InChIInChI=1S/3C2H4O2.Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKeyJVLRYPRBKSMEBF-UHFFFAOYSA-K
MW298.89 g/mol
LogP-0.34
Rot. Bonds3

About diacetyloxystibanyl acetate

diacetyloxystibanyl acetate (PubChem CID 16685080) has the molecular formula C6H9O6Sb and a molecular weight of 298.89 g/mol. Its IUPAC name is diacetyloxystibanyl acetate.

Molecular Properties

Compound Namediacetyloxystibanyl acetate
PubChem CID16685080
Molecular FormulaC6H9O6Sb
Molecular Weight298.89 g/mol
Exact Mass297.94
IUPAC Namediacetyloxystibanyl acetate
SMILESCC(=O)O[Sb](OC(C)=O)OC(C)=O
InChIInChI=1S/3C2H4O2.Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKeyJVLRYPRBKSMEBF-UHFFFAOYSA-K
XLogP-0.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.89
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;diacetyloxystibanyl acetate;zinc
CID 175934647
(dioxo-λ5-stibanyl) acetate
CID 139631794
bis(2-hydroxyethoxy)stibanyl acetate
CID 16684127
chloro acetate;yttrium
CID 174640124
CID 172779404
CID 172779404
acetic acid;alumanyl acetate
CID 174439489
methyl acetate;ruthenium
CID 160799101
acetic acid;ruthenium
CID 175502908
CID 87069860
CID 87069860
methyl acetate;titanium
CID 87665287
CID 160689228
CID 160689228
acetyl acetate;hydrochloride
CID 87138027

Frequently Asked Questions

What is the IUPAC name of diacetyloxystibanyl acetate?
The IUPAC name of diacetyloxystibanyl acetate (CID 16685080) is diacetyloxystibanyl acetate.
What is the SMILES notation for diacetyloxystibanyl acetate?
The canonical SMILES for diacetyloxystibanyl acetate is CC(=O)O[Sb](OC(C)=O)OC(C)=O.
What is the InChIKey of diacetyloxystibanyl acetate?
The InChIKey is JVLRYPRBKSMEBF-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O2.Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3.
What are the key properties of diacetyloxystibanyl acetate?
diacetyloxystibanyl acetate has a molecular weight of 298.89 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxystibanyl acetate is sourced from PubChem (CID 16685080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).