HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Bis(1-oxoisononyl) peroxide

HCID 94085
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
58499-37-9
Standard SMILES
CC(C)CCCCCC(=O)OOC(=O)CCCCCC(C)C
InChIKey
XKXGWYAQJRXDPI-UHFFFAOYSA-N
Molecular formula
C18H34O4
Average molar mass
314.5 g/mol
Monoisotopic mass
314.24570956

Names & identifiers

Preferred name
Bis(1-oxoisononyl) peroxide
IUPAC
7-methyloctanoyl 7-methyloctaneperoxoate
English name
bis(1-oxoisononyl) peroxide
Molecular formula
C18H34O4
Molecular weight
314.46016

Names & synonyms

Bis(1-oxoisononyl) peroxide58499-37-9EINECS 261-292-5diisononanoyl peroxidedi-isononanoyl-peroxideSCHEMBL64942DB-229990NS00052749

Database identifiers

CAS
58499-37-9
PubChem CID
94085
EC Number
261-292-5

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
15
Heavy atoms
22
Formal charge
0
Complexity
267

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes