(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one

C10H16O4 — CID 53305125

IUPAC(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
SMILESCC(C)(C)O[C@@H]1C=CC(=O)[C@@H](CO)O1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9-5-4-7(12)8(6-11)13-9/h4-5,8-9,11H,6H2,1-3H3/t8-,9-/m1/s1
InChIKeyTXYZUFBWOJTYLJ-RKDXNWHRSA-N
MW200.23 g/mol
LogP0.64
Rot. Bonds2

About (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one

(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one (PubChem CID 53305125) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
PubChem CID53305125
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
SMILESCC(C)(C)O[C@@H]1C=CC(=O)[C@@H](CO)O1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9-5-4-7(12)8(6-11)13-9/h4-5,8-9,11H,6H2,1-3H3/t8-,9-/m1/s1
InChIKeyTXYZUFBWOJTYLJ-RKDXNWHRSA-N
XLogP0.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one?
The IUPAC name of (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one (CID 53305125) is (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one.
What is the SMILES notation for (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one?
The canonical SMILES for (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one is CC(C)(C)O[C@@H]1C=CC(=O)[C@@H](CO)O1.
What is the InChIKey of (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one?
The InChIKey is TXYZUFBWOJTYLJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2,3)14-9-5-4-7(12)8(6-11)13-9/h4-5,8-9,11H,6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one?
(2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one has a molecular weight of 200.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one is sourced from PubChem (CID 53305125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).