Basic information
- CAS
101339-27-9- Standard SMILES
CCCCCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O- InChIKey
FXWNZAIEHCFNRH-UHFFFAOYSA-N- Molecular formula
- C25H42O3
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.3133952
Overview
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl- has been reported in Iris missouriensis with data available.
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-
- IUPAC
- 2-methoxy-6-octadecylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
Deoxyirisoquin2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-octadecyl-101339-27-9DTXSID00143865RefChem:82736DTXCID70663562-methoxy-6-octadecylcyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
101339-27-9- PubChem CID
- 180959
- DTXSID
DTXSID00143865- Nikkaji
- J638.073E
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…