methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

C10H18O6 — CID 11333772

IUPACmethyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C10H18O6/c1-9(13-4)10(2,14-5)16-7(6-15-9)8(11)12-3/h7H,6H2,1-5H3/t7-,9-,10-/m1/s1
InChIKeyZQUCLMABKUYTNF-SZEHBUNVSA-N
MW234.25 g/mol
LogP0.30
Rot. Bonds3

About methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (PubChem CID 11333772) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
PubChem CID11333772
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C10H18O6/c1-9(13-4)10(2,14-5)16-7(6-15-9)8(11)12-3/h7H,6H2,1-5H3/t7-,9-,10-/m1/s1
InChIKeyZQUCLMABKUYTNF-SZEHBUNVSA-N
XLogP0.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (CID 11333772) is methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is COC(=O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1.
What is the InChIKey of methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The InChIKey is ZQUCLMABKUYTNF-SZEHBUNVSA-N. The full InChI is InChI=1S/C10H18O6/c1-9(13-4)10(2,14-5)16-7(6-15-9)8(11)12-3/h7H,6H2,1-5H3/t7-,9-,10-/m1/s1.
What are the key properties of methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 11333772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).