2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol

C8H12O3 — CID 90759486

IUPAC2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol
SMILESOC1CCOC2=C1CCOC2
InChIInChI=1S/C8H12O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h7,9H,1-5H2
InChIKeyFBFMHCYSFXQUCG-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.44
Rot. Bonds

About 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol

2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol (PubChem CID 90759486) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol.

Molecular Properties

Compound Name2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol
PubChem CID90759486
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol
SMILESOC1CCOC2=C1CCOC2
InChIInChI=1S/C8H12O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h7,9H,1-5H2
InChIKeyFBFMHCYSFXQUCG-UHFFFAOYSA-N
XLogP0.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol?
The IUPAC name of 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol (CID 90759486) is 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol.
What is the SMILES notation for 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol?
The canonical SMILES for 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol is OC1CCOC2=C1CCOC2.
What is the InChIKey of 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol?
The InChIKey is FBFMHCYSFXQUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h7,9H,1-5H2.
What are the key properties of 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol?
2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol has a molecular weight of 156.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,8-hexahydropyrano[3,4-b]pyran-4-ol is sourced from PubChem (CID 90759486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).