3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione

C8H10O4 — CID 74406828

IUPAC3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione
SMILESO=C1CCC2OC(=O)CCC2O1
InChIInChI=1S/C8H10O4/c9-7-3-1-5-6(12-7)2-4-8(10)11-5/h5-6H,1-4H2
InChIKeyVJSPQSJPVKYTFG-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.40
Rot. Bonds

About 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione

3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione (PubChem CID 74406828) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione.

Molecular Properties

Compound Name3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione
PubChem CID74406828
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione
SMILESO=C1CCC2OC(=O)CCC2O1
InChIInChI=1S/C8H10O4/c9-7-3-1-5-6(12-7)2-4-8(10)11-5/h5-6H,1-4H2
InChIKeyVJSPQSJPVKYTFG-UHFFFAOYSA-N
XLogP0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione?
The IUPAC name of 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione (CID 74406828) is 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione.
What is the SMILES notation for 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione?
The canonical SMILES for 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione is O=C1CCC2OC(=O)CCC2O1.
What is the InChIKey of 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione?
The InChIKey is VJSPQSJPVKYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7-3-1-5-6(12-7)2-4-8(10)11-5/h5-6H,1-4H2.
What are the key properties of 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione?
3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione has a molecular weight of 170.16 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran-2,6-dione is sourced from PubChem (CID 74406828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).