(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one

C6H8O3 — CID 67170768

IUPAC(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
SMILESO=C1CO[C@H]2OCCC12
InChIInChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4?,6-/m1/s1
InChIKeyZAOPDCXUXVLHMW-BAFYGKSASA-N
MW128.13 g/mol
LogP-0.05
Rot. Bonds

About (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one

(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one (PubChem CID 67170768) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one.

Molecular Properties

Compound Name(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
PubChem CID67170768
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one
SMILESO=C1CO[C@H]2OCCC12
InChIInChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4?,6-/m1/s1
InChIKeyZAOPDCXUXVLHMW-BAFYGKSASA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one?
The IUPAC name of (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one (CID 67170768) is (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one.
What is the SMILES notation for (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one?
The canonical SMILES for (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one is O=C1CO[C@H]2OCCC12.
What is the InChIKey of (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one?
The InChIKey is ZAOPDCXUXVLHMW-BAFYGKSASA-N. The full InChI is InChI=1S/C6H8O3/c7-5-3-9-6-4(5)1-2-8-6/h4,6H,1-3H2/t4?,6-/m1/s1.
What are the key properties of (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one?
(6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one has a molecular weight of 128.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-4-one is sourced from PubChem (CID 67170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).