Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-[2-(2,5-dimethoxy-3,4,6-trimethylphenyl)ethyl]-2-methyloxirane (HCID 178490451)|Huagongshe
Home
/
Compound
2-[2-(2,5-dimethoxy-3,4,6-trimethylphenyl)ethyl]-2-methyloxirane
HCID
178490451
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1c(C)c(C)c(OC)c(CCC2(C)CO2)c1C
InChIKey
WOQOTNBNZUXBRP-UHFFFAOYSA-N
Molecular formula
C16H24O3
Average molar mass
264.36 g/mol
Monoisotopic mass
264.17254462
Names & identifiers
IUPAC
2-[2-(2,5-dimethoxy-3,4,6-trimethylphenyl)ethyl]-2-methyloxirane
Database identifiers
PubChem CID
19865125
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
31 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
306
Show all 8
Show all 8 / 8
Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
123486
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
143345
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
695775
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
946170
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1546518
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Show 1 more
Compound notes
Loading…