Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
t-Butylhydroxyperoxide (HCID 11116005)|Huagongshe
Home
/
Compound
t-Butylhydroxyperoxide
HCID
11116005
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)(C)OOO
InChIKey
KIFPIAKBYOIOCS-UHFFFAOYSA-N
Molecular formula
C4H10O3
Average molar mass
106.12 g/mol
Names & identifiers
Preferred name
t-Butylhydroxyperoxide
IUPAC
2-methyl-2-(trioxidanyl)propane
Names & synonyms
t-butylhydroxyperoxide
tert-butylhydroxyperoxide
SCHEMBL146799
KIFPIAKBYOIOCS-UHFFFAOYSA-N
Database identifiers
PubChem CID
11116005
Nikkaji
J506.417A
Properties
Computed structural properties
XLogP
0.6
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
7
Formal charge
0
Complexity
45.4
Show all 8
Show all 8 / 8
Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
374716
As reactant
uspto-grants-1996_01
HRID
893153
As reactant
uspto-grants-1992_06
HRID
1109420
As reactant
uspto-grants-1994_06
HRID
1140775
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1720682
As reactant
uspto-grants-1996_04
HRID
2255780
As reactant
uspto-grants-1993_08
HRID
2271284
As reactant
uspto-grants-2001_12
Show 3 more
Compound notes
Loading…