(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one

C8H12O4 — CID 162891934

IUPAC(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
SMILESCOC1=CCO[C@@](C)(OC)C1=O
InChIInChI=1S/C8H12O4/c1-8(11-3)7(9)6(10-2)4-5-12-8/h4H,5H2,1-3H3/t8-/m1/s1
InChIKeyLZDYFHFYJDDHCQ-MRVPVSSYSA-N
MW172.18 g/mol
LogP0.48
Rot. Bonds2

About (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one

(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one (PubChem CID 162891934) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
PubChem CID162891934
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
SMILESCOC1=CCO[C@@](C)(OC)C1=O
InChIInChI=1S/C8H12O4/c1-8(11-3)7(9)6(10-2)4-5-12-8/h4H,5H2,1-3H3/t8-/m1/s1
InChIKeyLZDYFHFYJDDHCQ-MRVPVSSYSA-N
XLogP0.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one (CID 162891934) is (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one is COC1=CCO[C@@](C)(OC)C1=O.
What is the InChIKey of (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one?
The InChIKey is LZDYFHFYJDDHCQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(11-3)7(9)6(10-2)4-5-12-8/h4H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one?
(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one has a molecular weight of 172.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 162891934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).