2,3-diformyloxypropyl acetate

C7H10O6 — CID 14344247

IUPAC2,3-diformyloxypropyl acetate
SMILESCC(=O)OCC(COC=O)OC=O
InChIInChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3
InChIKeyPNUXFRAVKFMWSQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.74
Rot. Bonds7

About 2,3-diformyloxypropyl acetate

2,3-diformyloxypropyl acetate (PubChem CID 14344247) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,3-diformyloxypropyl acetate.

Molecular Properties

Compound Name2,3-diformyloxypropyl acetate
PubChem CID14344247
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2,3-diformyloxypropyl acetate
SMILESCC(=O)OCC(COC=O)OC=O
InChIInChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3
InChIKeyPNUXFRAVKFMWSQ-UHFFFAOYSA-N
XLogP-0.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-diformyloxypropyl 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 2,3-diformyloxypropyl acetate?
The IUPAC name of 2,3-diformyloxypropyl acetate (CID 14344247) is 2,3-diformyloxypropyl acetate.
What is the SMILES notation for 2,3-diformyloxypropyl acetate?
The canonical SMILES for 2,3-diformyloxypropyl acetate is CC(=O)OCC(COC=O)OC=O.
What is the InChIKey of 2,3-diformyloxypropyl acetate?
The InChIKey is PNUXFRAVKFMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3.
What are the key properties of 2,3-diformyloxypropyl acetate?
2,3-diformyloxypropyl acetate has a molecular weight of 190.15 g/mol, XLogP of -0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diformyloxypropyl acetate is sourced from PubChem (CID 14344247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).