3,4-diacetyloxolane-2,5-dione

C8H8O5 — CID 4296140

IUPAC3,4-diacetyloxolane-2,5-dione
SMILESCC(=O)C1C(=O)OC(=O)C1C(C)=O
InChIInChI=1S/C8H8O5/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h5-6H,1-2H3
InChIKeyIUTCCKBNLGSFGM-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.52
Rot. Bonds2

About 3,4-diacetyloxolane-2,5-dione

3,4-diacetyloxolane-2,5-dione (PubChem CID 4296140) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3,4-diacetyloxolane-2,5-dione.

Molecular Properties

Compound Name3,4-diacetyloxolane-2,5-dione
PubChem CID4296140
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3,4-diacetyloxolane-2,5-dione
SMILESCC(=O)C1C(=O)OC(=O)C1C(C)=O
InChIInChI=1S/C8H8O5/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h5-6H,1-2H3
InChIKeyIUTCCKBNLGSFGM-UHFFFAOYSA-N
XLogP-0.52
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diacetyloxolane-2,5-dione?
The IUPAC name of 3,4-diacetyloxolane-2,5-dione (CID 4296140) is 3,4-diacetyloxolane-2,5-dione.
What is the SMILES notation for 3,4-diacetyloxolane-2,5-dione?
The canonical SMILES for 3,4-diacetyloxolane-2,5-dione is CC(=O)C1C(=O)OC(=O)C1C(C)=O.
What is the InChIKey of 3,4-diacetyloxolane-2,5-dione?
The InChIKey is IUTCCKBNLGSFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h5-6H,1-2H3.
What are the key properties of 3,4-diacetyloxolane-2,5-dione?
3,4-diacetyloxolane-2,5-dione has a molecular weight of 184.15 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diacetyloxolane-2,5-dione is sourced from PubChem (CID 4296140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).