2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate

C14H26O8 — CID 91049611

IUPAC2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
SMILESCC(C)(C)CC(C)(C)C(=O)OOOOOOC(=O)C(C)(C)C
InChIInChI=1S/C14H26O8/c1-12(2,3)9-14(7,8)11(16)18-20-22-21-19-17-10(15)13(4,5)6/h9H2,1-8H3
InChIKeyHJWSSSZKACRVSB-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.22
Rot. Bonds7

About 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate

2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate (PubChem CID 91049611) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate.

Molecular Properties

Compound Name2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
PubChem CID91049611
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
SMILESCC(C)(C)CC(C)(C)C(=O)OOOOOOC(=O)C(C)(C)C
InChIInChI=1S/C14H26O8/c1-12(2,3)9-14(7,8)11(16)18-20-22-21-19-17-10(15)13(4,5)6/h9H2,1-8H3
InChIKeyHJWSSSZKACRVSB-UHFFFAOYSA-N
XLogP3.22
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate?
The IUPAC name of 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate (CID 91049611) is 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate.
What is the SMILES notation for 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate?
The canonical SMILES for 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate is CC(C)(C)CC(C)(C)C(=O)OOOOOOC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate?
The InChIKey is HJWSSSZKACRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O8/c1-12(2,3)9-14(7,8)11(16)18-20-22-21-19-17-10(15)13(4,5)6/h9H2,1-8H3.
What are the key properties of 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate?
2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate has a molecular weight of 322.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate is sourced from PubChem (CID 91049611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).