4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one

C11H14O4 — CID 170990140

IUPAC4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one
SMILESCOC1=CC(=O)OC2C(C)=C(C)OCC12
InChIInChI=1S/C11H14O4/c1-6-7(2)14-5-8-9(13-3)4-10(12)15-11(6)8/h4,8,11H,5H2,1-3H3
InChIKeyRBNCYQPFZHUMDW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds1

About 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one

4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one (PubChem CID 170990140) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one
PubChem CID170990140
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one
SMILESCOC1=CC(=O)OC2C(C)=C(C)OCC12
InChIInChI=1S/C11H14O4/c1-6-7(2)14-5-8-9(13-3)4-10(12)15-11(6)8/h4,8,11H,5H2,1-3H3
InChIKeyRBNCYQPFZHUMDW-UHFFFAOYSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one?
The IUPAC name of 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one (CID 170990140) is 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one.
What is the SMILES notation for 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one?
The canonical SMILES for 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one is COC1=CC(=O)OC2C(C)=C(C)OCC12.
What is the InChIKey of 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one?
The InChIKey is RBNCYQPFZHUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-7(2)14-5-8-9(13-3)4-10(12)15-11(6)8/h4,8,11H,5H2,1-3H3.
What are the key properties of 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one?
4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7,8-dimethyl-5,8a-dihydro-4aH-pyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 170990140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).