2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C16H16O6 — CID 54696256

IUPAC2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)CC(c1c(O)cc(C)oc1=O)O2
InChIInChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3
InChIKeyHYZREXXZIIBUGU-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.54
Rot. Bonds1

About 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 54696256) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID54696256
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C(C)CC(c1c(O)cc(C)oc1=O)O2
InChIInChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3
InChIKeyHYZREXXZIIBUGU-UHFFFAOYSA-N
XLogP2.54
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 54696256) is 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is Cc1cc2c(c(=O)o1)C(C)CC(c1c(O)cc(C)oc1=O)O2.
What is the InChIKey of 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is HYZREXXZIIBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-7-4-11(14-10(17)5-8(2)20-16(14)19)22-12-6-9(3)21-15(18)13(7)12/h5-7,11,17H,4H2,1-3H3.
What are the key properties of 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 304.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 54696256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).