(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate

C10H10O7 — CID 22096

IUPAC(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate
SMILESCCC(=O)OC1=C(OC(=O)CC)C(=O)OC1=O
InChIInChI=1S/C10H10O7/c1-3-5(11)15-7-8(16-6(12)4-2)10(14)17-9(7)13/h3-4H2,1-2H3
InChIKeyRHLNUQMNCYLGEN-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.19
Rot. Bonds4

About (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate

(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate (PubChem CID 22096) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate.

Molecular Properties

Compound Name(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate
PubChem CID22096
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate
SMILESCCC(=O)OC1=C(OC(=O)CC)C(=O)OC1=O
InChIInChI=1S/C10H10O7/c1-3-5(11)15-7-8(16-6(12)4-2)10(14)17-9(7)13/h3-4H2,1-2H3
InChIKeyRHLNUQMNCYLGEN-UHFFFAOYSA-N
XLogP0.19
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate?
The IUPAC name of (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate (CID 22096) is (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate.
What is the SMILES notation for (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate?
The canonical SMILES for (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate is CCC(=O)OC1=C(OC(=O)CC)C(=O)OC1=O.
What is the InChIKey of (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate?
The InChIKey is RHLNUQMNCYLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c1-3-5(11)15-7-8(16-6(12)4-2)10(14)17-9(7)13/h3-4H2,1-2H3.
What are the key properties of (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate?
(2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate has a molecular weight of 242.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-4-propanoyloxyfuran-3-yl) propanoate is sourced from PubChem (CID 22096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).