(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C6H8O3 — CID 11829446

IUPAC(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2CCO[C@@H]2O1
InChIInChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2/t4-,6+/m0/s1
InChIKeyIADWRRHAUNBWTI-UJURSFKZSA-N
MW128.13 g/mol
LogP0.30
Rot. Bonds

About (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 11829446) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID11829446
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2CCO[C@@H]2O1
InChIInChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2/t4-,6+/m0/s1
InChIKeyIADWRRHAUNBWTI-UJURSFKZSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 11829446) is (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is O=C1C[C@@H]2CCO[C@@H]2O1.
What is the InChIKey of (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is IADWRRHAUNBWTI-UJURSFKZSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2/t4-,6+/m0/s1.
What are the key properties of (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 11829446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).