4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one

C15H16O6 — CID 54697221

IUPAC4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
SMILESCc1oc(=O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c1C
InChIInChI=1S/C15H16O6/c1-6-8(3)20-14(18)10(12(6)16)5-11-13(17)7(2)9(4)21-15(11)19/h16-17H,5H2,1-4H3
InChIKeyDATAFHMYYHJRSS-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.83
Rot. Bonds2

About 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one

4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one (PubChem CID 54697221) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
PubChem CID54697221
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
SMILESCc1oc(=O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c1C
InChIInChI=1S/C15H16O6/c1-6-8(3)20-14(18)10(12(6)16)5-11-13(17)7(2)9(4)21-15(11)19/h16-17H,5H2,1-4H3
InChIKeyDATAFHMYYHJRSS-UHFFFAOYSA-N
XLogP1.83
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one (CID 54697221) is 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one is Cc1oc(=O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c1C.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one?
The InChIKey is DATAFHMYYHJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-6-8(3)20-14(18)10(12(6)16)5-11-13(17)7(2)9(4)21-15(11)19/h16-17H,5H2,1-4H3.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one?
4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one has a molecular weight of 292.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one is sourced from PubChem (CID 54697221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).