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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Related Compounds

(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11400761
(3aS,4R,7aS)-4-hydroxy-3,3a,4,7a-tetrahydrofuro[2,3-b]pyran-2-one
CID 14841096
ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
CID 13033998
ethyl (3aS,4S,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-carboxylate
CID 11356042
2-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12846325
4-methyl-2-oxo-3a,6a-dihydro-3H-cyclopenta[b]furan-4-carbaldehyde
CID 130035110
4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 141190397
(3aS,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-4-carbaldehyde
CID 92977357
(3aS,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-5-carboxylic acid
CID 163211761
(1S,3R,7R,8E,10R)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
CID 24773313
4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 20672787
4-ethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 20657039

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).