3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione

C6H6O5 — CID 22034553

IUPAC3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
SMILESO=C1OC2COC(=O)C2C1O
InChIInChI=1S/C6H6O5/c7-4-3-2(11-6(4)9)1-10-5(3)8/h2-4,7H,1H2
InChIKeyRXPYDHRMAITRRC-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.55
Rot. Bonds

About 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione

3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione (PubChem CID 22034553) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
PubChem CID22034553
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
SMILESO=C1OC2COC(=O)C2C1O
InChIInChI=1S/C6H6O5/c7-4-3-2(11-6(4)9)1-10-5(3)8/h2-4,7H,1H2
InChIKeyRXPYDHRMAITRRC-UHFFFAOYSA-N
XLogP-1.55
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione?
The IUPAC name of 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione (CID 22034553) is 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione.
What is the SMILES notation for 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione?
The canonical SMILES for 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione is O=C1OC2COC(=O)C2C1O.
What is the InChIKey of 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione?
The InChIKey is RXPYDHRMAITRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c7-4-3-2(11-6(4)9)1-10-5(3)8/h2-4,7H,1H2.
What are the key properties of 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione?
3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione has a molecular weight of 158.11 g/mol, XLogP of -1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione is sourced from PubChem (CID 22034553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).