1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione

C₁₆H₂₂O₃ — CID 71393325

About 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione

1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione (PubChem CID 71393325) has the molecular formula C₁₆H₂₂O₃ and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione.

Molecular Properties

• Compound Name: 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione
• PubChem CID: 71393325
• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.16
• IUPAC Name: 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione
• SMILES: CC(C)COC1=CC(=O)C2(C=CC(=O)CC2)C(C)C1
• InChI: InChI=1S/C16H22O3/c1-11(2)10-19-14-8-12(3)16(15(18)9-14)6-4-13(17)5-7-16/h4,6,9,11-12H,5,7-8,10H2,1-3H3
• InChIKey: XQIGIWBYXIJREF-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione?

The IUPAC name of 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione (CID 71393325) is 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione.

What is the SMILES notation for 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione?

The canonical SMILES for 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione is CC(C)COC1=CC(=O)C2(C=CC(=O)CC2)C(C)C1.

What is the InChIKey of 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione?

The InChIKey is XQIGIWBYXIJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)10-19-14-8-12(3)16(15(18)9-14)6-4-13(17)5-7-16/h4,6,9,11-12H,5,7-8,10H2,1-3H3.

What are the key properties of 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione?

1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione has a molecular weight of 262.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-(2-methylpropoxy)spiro[5.5]undeca-3,10-diene-5,9-dione is sourced from PubChem (CID 71393325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71393325 — identifiers, structure, computed properties (public domain)

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