bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate

C14H24O8 — CID 118599931

IUPACbis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate
SMILESCC/C(=C\C(=O)OOOC(C)(C)C)C(=O)OOOC(C)(C)C
InChIInChI=1S/C14H24O8/c1-8-10(12(16)18-22-20-14(5,6)7)9-11(15)17-21-19-13(2,3)4/h9H,8H2,1-7H3/b10-9+
InChIKeyIVLARZGPLXKYTI-MDZDMXLPSA-N
MW320.34 g/mol
LogP2.73
Rot. Bonds7

About bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate

bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate (PubChem CID 118599931) has the molecular formula C14H24O8 and a molecular weight of 320.34 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate
PubChem CID118599931
Molecular FormulaC14H24O8
Molecular Weight320.34 g/mol
Exact Mass320.15
IUPAC Namebis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate
SMILESCC/C(=C\C(=O)OOOC(C)(C)C)C(=O)OOOC(C)(C)C
InChIInChI=1S/C14H24O8/c1-8-10(12(16)18-22-20-14(5,6)7)9-11(15)17-21-19-13(2,3)4/h9H,8H2,1-7H3/b10-9+
InChIKeyIVLARZGPLXKYTI-MDZDMXLPSA-N
XLogP2.73
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate (CID 118599931) is bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate is CC/C(=C\C(=O)OOOC(C)(C)C)C(=O)OOOC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate?
The InChIKey is IVLARZGPLXKYTI-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H24O8/c1-8-10(12(16)18-22-20-14(5,6)7)9-11(15)17-21-19-13(2,3)4/h9H,8H2,1-7H3/b10-9+.
What are the key properties of bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate?
bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate has a molecular weight of 320.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate is sourced from PubChem (CID 118599931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).