(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane

C12H22O5 — CID 59351912

IUPAC(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane
SMILESCC[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1C1CO1
InChIInChI=1S/C12H22O5/c1-6-8-10(9-7-15-9)17-12(3,14-5)11(2,13-4)16-8/h8-10H,6-7H2,1-5H3/t8-,9?,10+,11-,12-/m1/s1
InChIKeyZBXWOMURXTYWCJ-RJJYYCBPSA-N
MW246.30 g/mol
LogP1.30
Rot. Bonds4

About (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane

(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane (PubChem CID 59351912) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane
PubChem CID59351912
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane
SMILESCC[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1C1CO1
InChIInChI=1S/C12H22O5/c1-6-8-10(9-7-15-9)17-12(3,14-5)11(2,13-4)16-8/h8-10H,6-7H2,1-5H3/t8-,9?,10+,11-,12-/m1/s1
InChIKeyZBXWOMURXTYWCJ-RJJYYCBPSA-N
XLogP1.30
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane?
The IUPAC name of (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane (CID 59351912) is (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane.
What is the SMILES notation for (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane?
The canonical SMILES for (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane is CC[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1C1CO1.
What is the InChIKey of (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane?
The InChIKey is ZBXWOMURXTYWCJ-RJJYYCBPSA-N. The full InChI is InChI=1S/C12H22O5/c1-6-8-10(9-7-15-9)17-12(3,14-5)11(2,13-4)16-8/h8-10H,6-7H2,1-5H3/t8-,9?,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane?
(2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane has a molecular weight of 246.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-5-ethyl-2,3-dimethoxy-2,3-dimethyl-6-(oxiran-2-yl)-1,4-dioxane is sourced from PubChem (CID 59351912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).