(4-acetyloxy-5-oxooxolan-3-yl) acetate

C8H10O6 — CID 66563672

IUPAC(4-acetyloxy-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1COC(=O)C1OC(C)=O
InChIInChI=1S/C8H10O6/c1-4(9)13-6-3-12-8(11)7(6)14-5(2)10/h6-7H,3H2,1-2H3
InChIKeyKEHCWZIUXGQZOB-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.59
Rot. Bonds2

About (4-acetyloxy-5-oxooxolan-3-yl) acetate

(4-acetyloxy-5-oxooxolan-3-yl) acetate (PubChem CID 66563672) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (4-acetyloxy-5-oxooxolan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-5-oxooxolan-3-yl) acetate
PubChem CID66563672
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(4-acetyloxy-5-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1COC(=O)C1OC(C)=O
InChIInChI=1S/C8H10O6/c1-4(9)13-6-3-12-8(11)7(6)14-5(2)10/h6-7H,3H2,1-2H3
InChIKeyKEHCWZIUXGQZOB-UHFFFAOYSA-N
XLogP-0.59
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (4-acetyloxy-5-oxooxolan-3-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-5-oxooxolan-3-yl) acetate?
The IUPAC name of (4-acetyloxy-5-oxooxolan-3-yl) acetate (CID 66563672) is (4-acetyloxy-5-oxooxolan-3-yl) acetate.
What is the SMILES notation for (4-acetyloxy-5-oxooxolan-3-yl) acetate?
The canonical SMILES for (4-acetyloxy-5-oxooxolan-3-yl) acetate is CC(=O)OC1COC(=O)C1OC(C)=O.
What is the InChIKey of (4-acetyloxy-5-oxooxolan-3-yl) acetate?
The InChIKey is KEHCWZIUXGQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-4(9)13-6-3-12-8(11)7(6)14-5(2)10/h6-7H,3H2,1-2H3.
What are the key properties of (4-acetyloxy-5-oxooxolan-3-yl) acetate?
(4-acetyloxy-5-oxooxolan-3-yl) acetate has a molecular weight of 202.16 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-5-oxooxolan-3-yl) acetate is sourced from PubChem (CID 66563672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).