5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione

C19H22O8 — CID 91228105

About 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione

5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione (PubChem CID 91228105) has the molecular formula C19H22O8 and a molecular weight of 378.38 g/mol. Its IUPAC name is 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione.

Molecular Properties

• Compound Name: 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione
• PubChem CID: 91228105
• Molecular Formula: C19H22O8
• Molecular Weight: 378.38 g/mol
• Exact Mass: 378.13
• IUPAC Name: 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione
• SMILES: CC(C)C1(C)OC(=O)C(=CCC=CC=C2C(=O)OC(C)(C)OC2=O)C(=O)O1
• InChI: InChI=1S/C19H22O8/c1-11(2)19(5)26-16(22)13(17(23)27-19)10-8-6-7-9-12-14(20)24-18(3,4)25-15(12)21/h6-7,9-11H,8H2,1-5H3/b7-6?,13-10-
• InChIKey: GNHUUMJMLRSQCX-NCJGRPLLSA-N
• XLogP: 2.09
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.38
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione?

The IUPAC name of 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione (CID 91228105) is 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione.

What is the SMILES notation for 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione?

The canonical SMILES for 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione is CC(C)C1(C)OC(=O)C(=CCC=CC=C2C(=O)OC(C)(C)OC2=O)C(=O)O1.

What is the InChIKey of 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione?

The InChIKey is GNHUUMJMLRSQCX-NCJGRPLLSA-N. The full InChI is InChI=1S/C19H22O8/c1-11(2)19(5)26-16(22)13(17(23)27-19)10-8-6-7-9-12-14(20)24-18(3,4)25-15(12)21/h6-7,9-11H,8H2,1-5H3/b7-6?,13-10-.

What are the key properties of 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione?

5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione has a molecular weight of 378.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pent-3-enylidene]-2-methyl-2-propan-2-yl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 91228105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).