Peroxide, bis(1-hydroxyheptyl)
Basic information
- CAS
29759-52-2- Standard SMILES
CCCCCCC(O)OOC(O)CCCCCC- InChIKey
PGRYWUYUNZNOAW-UHFFFAOYSA-N- Molecular formula
- C14H30O4
- Average molar mass
- 262.39 g/mol
- Monoisotopic mass
- 262.21440943
Names & identifiers
- Preferred name
- Peroxide, bis(1-hydroxyheptyl)
- IUPAC
- 1-(1-hydroxyheptylperoxy)heptan-1-ol
Names & synonyms
29759-52-21,1'-Dioxydi-1-heptanol(1-hydroxy-heptyl) peroxideSCHEMBL2251311-Heptanol, 1,1'-dioxydi-1,1'-Peroxydi(heptan-1-ol)Peroxide, bis(1-hydroxyheptyl)NIOSH/MJ4412500DTXSID30496275MJ44125000
Database identifiers
- CAS
29759-52-2- PubChem CID
- 12397166
- DTXSID
DTXSID30496275- Nikkaji
- J49.986B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 146
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Compound notes
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