3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one

C8H8O3 — CID 91346541

IUPAC3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one
SMILESO=C1CCOC2=COC=CC12
InChIInChI=1S/C8H8O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h1,3,5-6H,2,4H2
InChIKeyZJVRCKIADYRNRL-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.98
Rot. Bonds

About 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one

3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one (PubChem CID 91346541) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one.

Molecular Properties

Compound Name3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one
PubChem CID91346541
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one
SMILESO=C1CCOC2=COC=CC12
InChIInChI=1S/C8H8O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h1,3,5-6H,2,4H2
InChIKeyZJVRCKIADYRNRL-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopentachromen-4(2h)-one
CID 139266880
3,4a-dihydro-2H-cyclopenta[g]chromen-4-one
CID 88206716
(3R)-3-ethenyloxan-4-one
CID 130413548
1-(2,3-Dihydrofuran-3-yl)-2-methylpropan-1-one
CID 141223605

Frequently Asked Questions

What is the IUPAC name of 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one?
The IUPAC name of 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one (CID 91346541) is 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one.
What is the SMILES notation for 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one?
The canonical SMILES for 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one is O=C1CCOC2=COC=CC12.
What is the InChIKey of 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one?
The InChIKey is ZJVRCKIADYRNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-7-2-4-11-8-5-10-3-1-6(7)8/h1,3,5-6H,2,4H2.
What are the key properties of 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one?
3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one is sourced from PubChem (CID 91346541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).