tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate

C10H16O5 — CID 146163945

IUPACtert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1COC(=O)C1
InChIInChI=1S/C10H16O5/c1-10(2,3)15-9(13)8(12)6-4-7(11)14-5-6/h6,8,12H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyXMNUZYLSWQWDFU-HTRCEHHLSA-N
MW216.23 g/mol
LogP0.25
Rot. Bonds2

About tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate (PubChem CID 146163945) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate
PubChem CID146163945
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1COC(=O)C1
InChIInChI=1S/C10H16O5/c1-10(2,3)15-9(13)8(12)6-4-7(11)14-5-6/h6,8,12H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyXMNUZYLSWQWDFU-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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Related Compounds

4-(1-aminoethyl)oxolan-2-one
CID 173037685
4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
4-(1-hydroxy-2-methylpropyl)oxolan-2-one
CID 74342868
4-propan-2-yloxolan-2-one
CID 10997052
tert-butyl (3R)-4-oxooxolane-3-carboxylate
CID 86334856
tert-butyl 2-(oxiran-2-yl)propanoate
CID 138606951
(4R,6S)-4-methyl-6-propan-2-yloxepan-2-one
CID 45096478
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tert-butyl 2-(3-methyl-7-methylideneoxocan-5-yl)propanoate
CID 123300512
tert-butyl (3S,4S)-4-amino-5-oxooxolane-3-carboxylate
CID 67056502
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate (CID 146163945) is tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1COC(=O)C1.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate?
The InChIKey is XMNUZYLSWQWDFU-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2,3)15-9(13)8(12)6-4-7(11)14-5-6/h6,8,12H,4-5H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate 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)-2-hydroxy-2-[(3R)-5-oxooxolan-3-yl]acetate is sourced from PubChem (CID 146163945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).