(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate

C11H14O8 — CID 536836

IUPAC(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1OC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H14O8/c1-5(12)16-4-8-9(17-6(2)13)10(11(15)19-8)18-7(3)14/h8-10H,4H2,1-3H3
InChIKeyJIILXWRHIYAEQM-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.66
Rot. Bonds4

About (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate

(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate (PubChem CID 536836) has the molecular formula C11H14O8 and a molecular weight of 274.23 g/mol. Its IUPAC name is (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate.

Molecular Properties

Compound Name(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate
PubChem CID536836
Molecular FormulaC11H14O8
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1OC(=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H14O8/c1-5(12)16-4-8-9(17-6(2)13)10(11(15)19-8)18-7(3)14/h8-10H,4H2,1-3H3
InChIKeyJIILXWRHIYAEQM-UHFFFAOYSA-N
XLogP-0.66
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl 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 (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate?
The IUPAC name of (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate (CID 536836) is (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate.
What is the SMILES notation for (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate?
The canonical SMILES for (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate is CC(=O)OCC1OC(=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate?
The InChIKey is JIILXWRHIYAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O8/c1-5(12)16-4-8-9(17-6(2)13)10(11(15)19-8)18-7(3)14/h8-10H,4H2,1-3H3.
What are the key properties of (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate?
(3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate has a molecular weight of 274.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diacetyloxy-5-oxooxolan-2-yl)methyl acetate is sourced from PubChem (CID 536836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).