3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione

C6H6O4 — CID 14873929

IUPAC3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione
SMILESO=C1CC2CC(=O)OC2O1
InChIInChI=1S/C6H6O4/c7-4-1-3-2-5(8)10-6(3)9-4/h3,6H,1-2H2
InChIKeySRMZPULMQJQPFR-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.18
Rot. Bonds

About 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione

3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione (PubChem CID 14873929) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione.

Molecular Properties

Compound Name3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione
PubChem CID14873929
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione
SMILESO=C1CC2CC(=O)OC2O1
InChIInChI=1S/C6H6O4/c7-4-1-3-2-5(8)10-6(3)9-4/h3,6H,1-2H2
InChIKeySRMZPULMQJQPFR-UHFFFAOYSA-N
XLogP-0.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione?
The IUPAC name of 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione (CID 14873929) is 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione.
What is the SMILES notation for 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione?
The canonical SMILES for 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione is O=C1CC2CC(=O)OC2O1.
What is the InChIKey of 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione?
The InChIKey is SRMZPULMQJQPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-4-1-3-2-5(8)10-6(3)9-4/h3,6H,1-2H2.
What are the key properties of 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione?
3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione has a molecular weight of 142.11 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2,5-dione is sourced from PubChem (CID 14873929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).