3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol

C6H10O4 — CID 90900719

IUPAC3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol
SMILESOC1(O)COC2OCCC21
InChIInChI=1S/C6H10O4/c7-6(8)3-10-5-4(6)1-2-9-5/h4-5,7-8H,1-3H2
InChIKeyPYMFCJCMZMCOQV-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.94
Rot. Bonds

About 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol

3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol (PubChem CID 90900719) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol.

Molecular Properties

Compound Name3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol
PubChem CID90900719
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol
SMILESOC1(O)COC2OCCC21
InChIInChI=1S/C6H10O4/c7-6(8)3-10-5-4(6)1-2-9-5/h4-5,7-8H,1-3H2
InChIKeyPYMFCJCMZMCOQV-UHFFFAOYSA-N
XLogP-0.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol?
The IUPAC name of 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol (CID 90900719) is 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol.
What is the SMILES notation for 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol?
The canonical SMILES for 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol is OC1(O)COC2OCCC21.
What is the InChIKey of 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol?
The InChIKey is PYMFCJCMZMCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-6(8)3-10-5-4(6)1-2-9-5/h4-5,7-8H,1-3H2.
What are the key properties of 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol?
3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol has a molecular weight of 146.14 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,6a-tetrahydro-2H-furo[2,3-b]furan-4,4-diol is sourced from PubChem (CID 90900719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).