1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride

C₁₄H₂₀F₆O₂P- — CID 159433519

About 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride

1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride (PubChem CID 159433519) has the molecular formula C₁₄H₂₀F₆O₂P- and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride.

Molecular Properties

• Compound Name: 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
• PubChem CID: 159433519
• Molecular Formula: C₁₄H₂₀F₆O₂P-
• Molecular Weight: 365.27 g/mol
• Exact Mass: 365.11
• IUPAC Name: 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
• SMILES: C=Cc1ccc(COOCC(C)(C)C)cc1.FP(F)(F)(F)F.[F-]
• InChI: InChI=1S/C14H20O2.F5P.FH/c1-5-12-6-8-13(9-7-12)10-15-16-11-14(2,3)4;1-6(2,3,4)5;/h5-9H,1,10-11H2,2-4H3;;1H/p-1
• InChIKey: LRGYCWDMRYMUNW-UHFFFAOYSA-M
• XLogP: 3.79
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.27
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?

The IUPAC name of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride (CID 159433519) is 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride.

What is the SMILES notation for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?

The canonical SMILES for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride is C=Cc1ccc(COOCC(C)(C)C)cc1.FP(F)(F)(F)F.[F-].

What is the InChIKey of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?

The InChIKey is LRGYCWDMRYMUNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20O2.F5P.FH/c1-5-12-6-8-13(9-7-12)10-15-16-11-14(2,3)4;1-6(2,3,4)5;/h5-9H,1,10-11H2,2-4H3;;1H/p-1.

What are the key properties of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?

1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride has a molecular weight of 365.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride is sourced from PubChem (CID 159433519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159433519 — identifiers, structure, computed properties (public domain)

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