(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one

C7H12O3 — CID 71358528

IUPAC(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one
SMILESC[C@H]1[C@H](O)CC(=O)O[C@@H]1C
InChIInChI=1S/C7H12O3/c1-4-5(2)10-7(9)3-6(4)8/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyRZRLGLZUMGBUIB-HSUXUTPPSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds

About (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one

(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one (PubChem CID 71358528) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one
PubChem CID71358528
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one
SMILESC[C@H]1[C@H](O)CC(=O)O[C@@H]1C
InChIInChI=1S/C7H12O3/c1-4-5(2)10-7(9)3-6(4)8/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyRZRLGLZUMGBUIB-HSUXUTPPSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethyltetrahydropyran-2-one
CID 544628
4-Hydroxy-6-methyloxan-2-one
CID 241025
2H-Pyran-2-one, tetrahydro-4,6-dimethyl-
CID 138017
5,6-Dimethyltetrahydropyran-2-one, (E)-
CID 11029861
3-Hydroxy-4-methylhexanoic acid
CID 22471996
(4R,6R)-4-Hydroxy-6-methyltetrahydro-2H-pyran-2-one
CID 5324869
(4S,6S)-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one
CID 92228277
Mnwkqaqyfpekek-phdidxhhsa-
CID 10012025
Mnwkqaqyfpekek-ntswfwbysa-
CID 10103287
Prelactone B
CID 11105821
(3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 9989690
(3R,4S,5R,6R)a4aHydroxya3,5,6atrimethyloxana2aone
CID 10419438

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one?
The IUPAC name of (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one (CID 71358528) is (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one.
What is the SMILES notation for (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one?
The canonical SMILES for (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one is C[C@H]1[C@H](O)CC(=O)O[C@@H]1C.
What is the InChIKey of (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one?
The InChIKey is RZRLGLZUMGBUIB-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5(2)10-7(9)3-6(4)8/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one?
(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one is sourced from PubChem (CID 71358528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).