acetyloxidanium acetate

C4H8O4 — CID 158217679

IUPACacetyloxidanium acetate
SMILESCC(=O)[O-].CC(=O)[OH2+]
InChIInChI=1S/2C2H4O2/c2*1-2(3)4/h2*1H3,(H,3,4)
InChIKeyYBCVMFKXIKNREZ-UHFFFAOYSA-N
MW120.10 g/mol
LogP-1.99
Rot. Bonds

About acetyloxidanium acetate

acetyloxidanium acetate (PubChem CID 158217679) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is acetyloxidanium acetate.

Molecular Properties

Compound Nameacetyloxidanium acetate
PubChem CID158217679
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Nameacetyloxidanium acetate
SMILESCC(=O)[O-].CC(=O)[OH2+]
InChIInChI=1S/2C2H4O2/c2*1-2(3)4/h2*1H3,(H,3,4)
InChIKeyYBCVMFKXIKNREZ-UHFFFAOYSA-N
XLogP-1.99
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
nonasodium;nonaacetate
CID 173443222
tris(barium(2+)) diacetate
CID 19804496
uranium(4+) tetraacetate
CID 51035191
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of acetyloxidanium acetate?
The IUPAC name of acetyloxidanium acetate (CID 158217679) is acetyloxidanium acetate.
What is the SMILES notation for acetyloxidanium acetate?
The canonical SMILES for acetyloxidanium acetate is CC(=O)[O-].CC(=O)[OH2+].
What is the InChIKey of acetyloxidanium acetate?
The InChIKey is YBCVMFKXIKNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2/c2*1-2(3)4/h2*1H3,(H,3,4).
What are the key properties of acetyloxidanium acetate?
acetyloxidanium acetate has a molecular weight of 120.10 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxidanium acetate is sourced from PubChem (CID 158217679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).