6,6a-dihydro-3aH-furo[3,2-b]furan-5-one

C6H6O3 — CID 67281853

IUPAC6,6a-dihydro-3aH-furo[3,2-b]furan-5-one
SMILESO=C1CC2OC=CC2O1
InChIInChI=1S/C6H6O3/c7-6-3-5-4(9-6)1-2-8-5/h1-2,4-5H,3H2
InChIKeyGUDYUBNNQIAJTL-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.21
Rot. Bonds

About 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one

6,6a-dihydro-3aH-furo[3,2-b]furan-5-one (PubChem CID 67281853) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name6,6a-dihydro-3aH-furo[3,2-b]furan-5-one
PubChem CID67281853
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name6,6a-dihydro-3aH-furo[3,2-b]furan-5-one
SMILESO=C1CC2OC=CC2O1
InChIInChI=1S/C6H6O3/c7-6-3-5-4(9-6)1-2-8-5/h1-2,4-5H,3H2
InChIKeyGUDYUBNNQIAJTL-UHFFFAOYSA-N
XLogP0.21
TPSA35.53 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 ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one?
The IUPAC name of 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one (CID 67281853) is 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one.
What is the SMILES notation for 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one?
The canonical SMILES for 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one is O=C1CC2OC=CC2O1.
What is the InChIKey of 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one?
The InChIKey is GUDYUBNNQIAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-6-3-5-4(9-6)1-2-8-5/h1-2,4-5H,3H2.
What are the key properties of 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one?
6,6a-dihydro-3aH-furo[3,2-b]furan-5-one has a molecular weight of 126.11 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydro-3aH-furo[3,2-b]furan-5-one is sourced from PubChem (CID 67281853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).