Basic information
- CAS
13052-07-8- Standard SMILES
CCCCCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCCCC- InChIKey
QJRGOYGWWVYKGX-UHFFFAOYSA-N- Molecular formula
- C26H50O6
- Average molar mass
- 458.7 g/mol
- Monoisotopic mass
- 458.36073931
Names & identifiers
- Preferred name
- 1,1,4,4-Tetramethyltetramethylene peroxynonanoate
- IUPAC
- (2,5-dimethyl-5-nonanoylperoxyhexan-2-yl) nonaneperoxoate
- English name
- 1,1,4,4-tetramethyltetramethylene peroxynonanoate
- Molecular formula
- C26H50O6
- Molecular weight
- 458.67
Names & synonyms
1,1,4,4-Tetramethyltetramethylene peroxynonanoate13052-07-8EINECS 235-933-42,5-dimethylhexane-2,5-diyl dinonaneperoxoate(2,5-dimethyl-5-nonanoylperoxyhexan-2-yl) nonaneperoxoateDTXSID60926777QJRGOYGWWVYKGX-UHFFFAOYSA-NNS00051535Bis(nonaneperoxoic acid)2,5-dimethyl-2,5-hexanediyl esterNonaneperoxoic acid, 1,1,4,4-tetramethyl-1,4-butanediyl ester (9CI)
Database identifiers
- CAS
13052-07-8- PubChem CID
- 83085
- DTXSID
DTXSID60926777- EC Number
- 235-933-4
- Nikkaji
- J317.783A
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 23
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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