(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one

C7H10O3 — CID 100944243

IUPAC(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(O)C[C@@H](C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-3-6(8)5(2)7(9)10-4/h4,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyMXEJFXRULRDYHS-SCSAIBSYSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds

About (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one

(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one (PubChem CID 100944243) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one
PubChem CID100944243
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(O)C[C@@H](C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-3-6(8)5(2)7(9)10-4/h4,8H,3H2,1-2H3/t4-/m1/s1
InChIKeyMXEJFXRULRDYHS-SCSAIBSYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one (CID 100944243) is (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one is CC1=C(O)C[C@@H](C)OC1=O.
What is the InChIKey of (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is MXEJFXRULRDYHS-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-6(8)5(2)7(9)10-4/h4,8H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one?
(2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 142.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2,5-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 100944243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).