ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate

C10H16O6 — CID 122206731

IUPACethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C10H16O6/c1-4-14-9(13)7(12)8-6(11)5-15-10(2,3)16-8/h7-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZOYYOWLJONABFC-HTQZYQBOSA-N
MW232.23 g/mol
LogP-0.37
Rot. Bonds3

About ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate

ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate (PubChem CID 122206731) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate
PubChem CID122206731
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nameethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C10H16O6/c1-4-14-9(13)7(12)8-6(11)5-15-10(2,3)16-8/h7-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZOYYOWLJONABFC-HTQZYQBOSA-N
XLogP-0.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate (CID 122206731) is ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate is CCOC(=O)[C@H](O)[C@@H]1OC(C)(C)OCC1=O.
What is the InChIKey of ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate?
The InChIKey is ZOYYOWLJONABFC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O6/c1-4-14-9(13)7(12)8-6(11)5-15-10(2,3)16-8/h7-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate?
ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate has a molecular weight of 232.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 122206731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).