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

C12H18O8 — CID 10684892

IUPACdimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C12H18O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h1-6H3/t11-,12-/m1/s1
InChIKeySQVZHDVADPLUHY-VXGBXAGGSA-N
MW290.27 g/mol
LogP0.32
Rot. Bonds4

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

dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate (PubChem CID 10684892) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate
PubChem CID10684892
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Namedimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C12H18O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h1-6H3/t11-,12-/m1/s1
InChIKeySQVZHDVADPLUHY-VXGBXAGGSA-N
XLogP0.32
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate?
The IUPAC name of dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate (CID 10684892) is dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate?
The canonical SMILES for dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)O[C@@](C)(OC)[C@](C)(OC)O1.
What is the InChIKey of dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate?
The InChIKey is SQVZHDVADPLUHY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h1-6H3/t11-,12-/m1/s1.
What are the key properties of dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate?
dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate has a molecular weight of 290.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxine-2,3-dicarboxylate is sourced from PubChem (CID 10684892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).