dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate

C12H20O8 — CID 10732364

IUPACdimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC
InChIInChI=1S/C12H20O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h7-8H,1-6H3/t7-,8-,11-,12-/m1/s1
InChIKeyCIDSXIYWZMWIAF-GAJNKVMBSA-N
MW292.28 g/mol
LogP-0.16
Rot. Bonds4

About dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate

dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate (PubChem CID 10732364) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate
PubChem CID10732364
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Namedimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC
InChIInChI=1S/C12H20O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h7-8H,1-6H3/t7-,8-,11-,12-/m1/s1
InChIKeyCIDSXIYWZMWIAF-GAJNKVMBSA-N
XLogP-0.16
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate (CID 10732364) is dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate is COC(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate?
The InChIKey is CIDSXIYWZMWIAF-GAJNKVMBSA-N. The full InChI is InChI=1S/C12H20O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h7-8H,1-6H3/t7-,8-,11-,12-/m1/s1.
What are the key properties of dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate?
dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate has a molecular weight of 292.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate is sourced from PubChem (CID 10732364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).