(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

C7H8O4 — CID 102167162

IUPAC(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESC[C@@H]1OC(=O)[C@H]2CC(=O)O[C@@H]12
InChIInChI=1S/C7H8O4/c1-3-6-4(7(9)10-3)2-5(8)11-6/h3-4,6H,2H2,1H3/t3-,4-,6-/m0/s1
InChIKeyBGGXTDWYJPJISI-FKZODXBYSA-N
MW156.14 g/mol
LogP-0.14
Rot. Bonds

About (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (PubChem CID 102167162) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.

Molecular Properties

Compound Name(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
PubChem CID102167162
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESC[C@@H]1OC(=O)[C@H]2CC(=O)O[C@@H]12
InChIInChI=1S/C7H8O4/c1-3-6-4(7(9)10-3)2-5(8)11-6/h3-4,6H,2H2,1H3/t3-,4-,6-/m0/s1
InChIKeyBGGXTDWYJPJISI-FKZODXBYSA-N
XLogP-0.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The IUPAC name of (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (CID 102167162) is (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.
What is the SMILES notation for (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The canonical SMILES for (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is C[C@@H]1OC(=O)[C@H]2CC(=O)O[C@@H]12.
What is the InChIKey of (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The InChIKey is BGGXTDWYJPJISI-FKZODXBYSA-N. The full InChI is InChI=1S/C7H8O4/c1-3-6-4(7(9)10-3)2-5(8)11-6/h3-4,6H,2H2,1H3/t3-,4-,6-/m0/s1.
What are the key properties of (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is sourced from PubChem (CID 102167162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).