5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C12H12O8 — CID 13113952

IUPAC5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C2C(=O)OC(C)(C)OC2=O)C(=O)O1
InChIInChI=1S/C12H12O8/c1-11(2)17-7(13)5(8(14)18-11)6-9(15)19-12(3,4)20-10(6)16/h1-4H3
InChIKeyRWTKAAPVSCAIDT-UHFFFAOYSA-N
MW284.22 g/mol
LogP-0.04
Rot. Bonds

About 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 13113952) has the molecular formula C12H12O8 and a molecular weight of 284.22 g/mol. Its IUPAC name is 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID13113952
Molecular FormulaC12H12O8
Molecular Weight284.22 g/mol
Exact Mass284.05
IUPAC Name5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C2C(=O)OC(C)(C)OC2=O)C(=O)O1
InChIInChI=1S/C12H12O8/c1-11(2)17-7(13)5(8(14)18-11)6-9(15)19-12(3,4)20-10(6)16/h1-4H3
InChIKeyRWTKAAPVSCAIDT-UHFFFAOYSA-N
XLogP-0.04
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 13113952) is 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=C2C(=O)OC(C)(C)OC2=O)C(=O)O1.
What is the InChIKey of 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is RWTKAAPVSCAIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O8/c1-11(2)17-7(13)5(8(14)18-11)6-9(15)19-12(3,4)20-10(6)16/h1-4H3.
What are the key properties of 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 284.22 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 13113952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).