4,7-dihydrofuro[2,3-d][1,2]dioxine

C6H6O3 — CID 10396846

IUPAC4,7-dihydrofuro[2,3-d][1,2]dioxine
SMILESc1cc2c(o1)COOC2
InChIInChI=1S/C6H6O3/c1-2-7-6-4-9-8-3-5(1)6/h1-2H,3-4H2
InChIKeyJQXYTPNMJFPZFU-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.24
Rot. Bonds

About 4,7-dihydrofuro[2,3-d][1,2]dioxine

4,7-dihydrofuro[2,3-d][1,2]dioxine (PubChem CID 10396846) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4,7-dihydrofuro[2,3-d][1,2]dioxine.

Molecular Properties

Compound Name4,7-dihydrofuro[2,3-d][1,2]dioxine
PubChem CID10396846
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name4,7-dihydrofuro[2,3-d][1,2]dioxine
SMILESc1cc2c(o1)COOC2
InChIInChI=1S/C6H6O3/c1-2-7-6-4-9-8-3-5(1)6/h1-2H,3-4H2
InChIKeyJQXYTPNMJFPZFU-UHFFFAOYSA-N
XLogP1.24
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydrofuro[2,3-d][1,2]dioxine?
The IUPAC name of 4,7-dihydrofuro[2,3-d][1,2]dioxine (CID 10396846) is 4,7-dihydrofuro[2,3-d][1,2]dioxine.
What is the SMILES notation for 4,7-dihydrofuro[2,3-d][1,2]dioxine?
The canonical SMILES for 4,7-dihydrofuro[2,3-d][1,2]dioxine is c1cc2c(o1)COOC2.
What is the InChIKey of 4,7-dihydrofuro[2,3-d][1,2]dioxine?
The InChIKey is JQXYTPNMJFPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-2-7-6-4-9-8-3-5(1)6/h1-2H,3-4H2.
What are the key properties of 4,7-dihydrofuro[2,3-d][1,2]dioxine?
4,7-dihydrofuro[2,3-d][1,2]dioxine has a molecular weight of 126.11 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydrofuro[2,3-d][1,2]dioxine is sourced from PubChem (CID 10396846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).