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

C10H18O6 — CID 72805557

IUPACmethyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)C1COC(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
InChIKeyZQUCLMABKUYTNF-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.30
Rot. Bonds3

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

methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (PubChem CID 72805557) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
PubChem CID72805557
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCOC(=O)C1COC(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
InChIKeyZQUCLMABKUYTNF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (CID 72805557) is methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is COC(=O)C1COC(C)(OC)C(C)(OC)O1.
What is the InChIKey of methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The InChIKey is ZQUCLMABKUYTNF-UHFFFAOYSA-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.
What are the key properties of methyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
methyl 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 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 72805557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).