2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate

C10H10O7 — CID 87791805

IUPAC2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate
SMILESO=C(OOOC(=O)C1=COCC1)C1=COCC1
InChIInChI=1S/C10H10O7/c11-9(7-1-3-13-5-7)15-17-16-10(12)8-2-4-14-6-8/h5-6H,1-4H2
InChIKeyXNYBMYFAGRBTGM-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.53
Rot. Bonds4

About 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate

2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate (PubChem CID 87791805) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate.

Molecular Properties

Compound Name2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate
PubChem CID87791805
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate
SMILESO=C(OOOC(=O)C1=COCC1)C1=COCC1
InChIInChI=1S/C10H10O7/c11-9(7-1-3-13-5-7)15-17-16-10(12)8-2-4-14-6-8/h5-6H,1-4H2
InChIKeyXNYBMYFAGRBTGM-UHFFFAOYSA-N
XLogP0.53
TPSA80.29 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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate?
The IUPAC name of 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate (CID 87791805) is 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate.
What is the SMILES notation for 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate?
The canonical SMILES for 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate is O=C(OOOC(=O)C1=COCC1)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate?
The InChIKey is XNYBMYFAGRBTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c11-9(7-1-3-13-5-7)15-17-16-10(12)8-2-4-14-6-8/h5-6H,1-4H2.
What are the key properties of 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate?
2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate has a molecular weight of 242.18 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-carbonyloxy 2,3-dihydrofuran-4-carboperoxoate is sourced from PubChem (CID 87791805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).