2,4a,6,8a-tetrahydropyrano[3,2-b]pyran

C8H10O2 — CID 123506704

IUPAC2,4a,6,8a-tetrahydropyrano[3,2-b]pyran
SMILESC1=CC2OCC=CC2OC1
InChIInChI=1S/C8H10O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-4,7-8H,5-6H2
InChIKeyPVGNCKIVUKIYTH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.90
Rot. Bonds

About 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran

2,4a,6,8a-tetrahydropyrano[3,2-b]pyran (PubChem CID 123506704) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name2,4a,6,8a-tetrahydropyrano[3,2-b]pyran
PubChem CID123506704
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2,4a,6,8a-tetrahydropyrano[3,2-b]pyran
SMILESC1=CC2OCC=CC2OC1
InChIInChI=1S/C8H10O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-4,7-8H,5-6H2
InChIKeyPVGNCKIVUKIYTH-UHFFFAOYSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2'-Bifuran, 2,2',5,5'-tetrahydro-
CID 549621
9-Oxabicyclo(3.3.1)nona-2,6-diene
CID 555327
2,7-Dioxa-tricyclo[4.4.0.0(3,8)]deca-4,9-diene
CID 555485
6-(2,3-dihydrofuran-2-yl)-3,4-dihydro-2H-pyran
CID 11321053
Propenyldioxane
CID 129811132
Dihydropyrano[3,2-b]pyran
CID 129833231
1,3-Cyclohexadiene, 5,6-dimethoxy-, trans--
CID 554413
6-(1-prop-2-enoxyprop-2-enyl)-3,4-dihydro-2H-pyran
CID 11252340
Rel-(5R,6R)-5,6-dimethoxycyclohexa-1,3-diene
CID 13634892
6-[(2S)-2,3-dihydrofuran-2-yl]-3,4-dihydro-2H-pyran
CID 93502584
1-(2-Methoxyethoxy)cyclododeca-2,6,10-triene
CID 100981328
(2S)-2-[(2R,5R)-5-[(2S)-3,6-dihydro-2H-pyran-2-yl]-2,5-dihydrofuran-2-yl]-3,6-dihydro-2H-pyran
CID 101149043

Frequently Asked Questions

What is the IUPAC name of 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran?
The IUPAC name of 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran (CID 123506704) is 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran.
What is the SMILES notation for 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran?
The canonical SMILES for 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran is C1=CC2OCC=CC2OC1.
What is the InChIKey of 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran?
The InChIKey is PVGNCKIVUKIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-4,7-8H,5-6H2.
What are the key properties of 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran?
2,4a,6,8a-tetrahydropyrano[3,2-b]pyran has a molecular weight of 138.17 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,6,8a-tetrahydropyrano[3,2-b]pyran is sourced from PubChem (CID 123506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).