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

C8H10O3 — CID 90931093

IUPAC4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol
SMILESOC1C=COC2=C1CCOC2
InChIInChI=1S/C8H10O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h2,4,7,9H,1,3,5H2
InChIKeyWPBAVLHXGABSRS-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.57
Rot. Bonds

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

4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol (PubChem CID 90931093) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol.

Molecular Properties

Compound Name4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol
PubChem CID90931093
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol
SMILESOC1C=COC2=C1CCOC2
InChIInChI=1S/C8H10O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h2,4,7,9H,1,3,5H2
InChIKeyWPBAVLHXGABSRS-UHFFFAOYSA-N
XLogP0.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
CID 57057451
1-[2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-yl]prop-2-en-1-ol
CID 57454128
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209
2,3,4,4a,5a,6-Hexahydropyrano[3,2-b]chromen-10-ol
CID 66825100
[2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol
CID 67023127
(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanol
CID 67044083
2,3,4,5,6,8-Hexahydropyrano[3,4-b]pyran-4-ol
CID 90759486
2,4-Dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
CID 91220406
2,3,5,6-Tetrahydro-1,4-benzodioxin-5-ol
CID 141234530
1-(2,3,7,8-Tetrahydro-1,4-benzodioxin-7-yl)ethanol
CID 141300726
Ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
CID 143395914
5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol
CID 146262352

Frequently Asked Questions

What is the IUPAC name of 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol?
The IUPAC name of 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol (CID 90931093) is 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol.
What is the SMILES notation for 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol?
The canonical SMILES for 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol is OC1C=COC2=C1CCOC2.
What is the InChIKey of 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol?
The InChIKey is WPBAVLHXGABSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h2,4,7,9H,1,3,5H2.
What are the key properties of 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol?
4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol has a molecular weight of 154.16 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,8-tetrahydropyrano[3,4-b]pyran-4-ol is sourced from PubChem (CID 90931093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).