methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate

C20H26O6 — CID 10546577

About methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate

methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate (PubChem CID 10546577) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate.

Molecular Properties

• Compound Name: methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
• PubChem CID: 10546577
• Molecular Formula: C20H26O6
• Molecular Weight: 362.42 g/mol
• Exact Mass: 362.17
• IUPAC Name: methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
• SMILES: COC(=O)C1=C(OC)C(=O)OC12C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O
• InChI: InChI=1S/C20H26O6/c1-18(2,3)11-9-12(19(4,5)6)15(21)20(10-11)13(16(22)25-8)14(24-7)17(23)26-20/h9-10H,1-8H3
• InChIKey: XLSACYLPDOXPCF-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.42
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?

The IUPAC name of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate (CID 10546577) is methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate.

What is the SMILES notation for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?

The canonical SMILES for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O.

What is the InChIKey of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?

The InChIKey is XLSACYLPDOXPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-18(2,3)11-9-12(19(4,5)6)15(21)20(10-11)13(16(22)25-8)14(24-7)17(23)26-20/h9-10H,1-8H3.

What are the key properties of methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate?

methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate has a molecular weight of 362.42 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7,9-ditert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate is sourced from PubChem (CID 10546577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).