tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate

C10H16O5 — CID 146163944

IUPACtert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1OC(=O)C[C@@H]1CO
InChIInChI=1S/C10H16O5/c1-10(2,3)15-9(13)8-6(5-11)4-7(12)14-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyPXCJGGGILPYECO-HTRCEHHLSA-N
MW216.23 g/mol
LogP0.25
Rot. Bonds2

About tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate

tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate (PubChem CID 146163944) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate
PubChem CID146163944
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nametert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1OC(=O)C[C@@H]1CO
InChIInChI=1S/C10H16O5/c1-10(2,3)15-9(13)8-6(5-11)4-7(12)14-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyPXCJGGGILPYECO-HTRCEHHLSA-N
XLogP0.25
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate (CID 146163944) is tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1OC(=O)C[C@@H]1CO.
What is the InChIKey of tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate?
The InChIKey is PXCJGGGILPYECO-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2,3)15-9(13)8-6(5-11)4-7(12)14-8/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate?
tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-(hydroxymethyl)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 146163944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).