(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate

C20H30F2O5Si — CID 102002469

IUPAC(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OOC(=O)C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C20H30F2O5Si/c1-13(2)10-28(11-14(3)4,12-15(5)6)27-26-20(24)19(23)25-18-16(21)8-7-9-17(18)22/h7-9,13-15H,10-12H2,1-6H3
InChIKeyGELVOJLSPABCPQ-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.26
Rot. Bonds9

About (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate

(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate (PubChem CID 102002469) has the molecular formula C20H30F2O5Si and a molecular weight of 416.54 g/mol. Its IUPAC name is (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate.

Molecular Properties

Compound Name(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate
PubChem CID102002469
Molecular FormulaC20H30F2O5Si
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OOC(=O)C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C20H30F2O5Si/c1-13(2)10-28(11-14(3)4,12-15(5)6)27-26-20(24)19(23)25-18-16(21)8-7-9-17(18)22/h7-9,13-15H,10-12H2,1-6H3
InChIKeyGELVOJLSPABCPQ-UHFFFAOYSA-N
XLogP5.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate?
The IUPAC name of (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate (CID 102002469) is (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate.
What is the SMILES notation for (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate?
The canonical SMILES for (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate is CC(C)C[Si](CC(C)C)(CC(C)C)OOC(=O)C(=O)Oc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate?
The InChIKey is GELVOJLSPABCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2O5Si/c1-13(2)10-28(11-14(3)4,12-15(5)6)27-26-20(24)19(23)25-18-16(21)8-7-9-17(18)22/h7-9,13-15H,10-12H2,1-6H3.
What are the key properties of (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate?
(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate has a molecular weight of 416.54 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate is sourced from PubChem (CID 102002469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).