dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate

C11H16O6 — CID 10824174

IUPACdimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OCCO/C=C\C1C
InChIInChI=1S/C11H16O6/c1-8-4-5-16-6-7-17-11(8,9(12)14-2)10(13)15-3/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyFXLGWTKKFNIZGN-PLNGDYQASA-N
MW244.24 g/mol
LogP0.27
Rot. Bonds2

About dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate

dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate (PubChem CID 10824174) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate
PubChem CID10824174
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)OCCO/C=C\C1C
InChIInChI=1S/C11H16O6/c1-8-4-5-16-6-7-17-11(8,9(12)14-2)10(13)15-3/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyFXLGWTKKFNIZGN-PLNGDYQASA-N
XLogP0.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate?
The IUPAC name of dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate (CID 10824174) is dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate.
What is the SMILES notation for dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate?
The canonical SMILES for dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate is COC(=O)C1(C(=O)OC)OCCO/C=C\C1C.
What is the InChIKey of dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate?
The InChIKey is FXLGWTKKFNIZGN-PLNGDYQASA-N. The full InChI is InChI=1S/C11H16O6/c1-8-4-5-16-6-7-17-11(8,9(12)14-2)10(13)15-3/h4-5,8H,6-7H2,1-3H3/b5-4-.
What are the key properties of dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate?
dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (7Z)-6-methyl-3,6-dihydro-2H-1,4-dioxocine-5,5-dicarboxylate is sourced from PubChem (CID 10824174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).