5,6-Epoxyretinal
Basic information
- CAS
739-13-9- Standard SMILES
CC(=C/C=C/C(C)=C/C=O)/C=C/C12OC1(C)CCCC2(C)C- InChIKey
PRYIAILXIVFMGU-JVSJJYLASA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 5,6-Epoxyretinal
- IUPAC
- (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenal
- English name
- 5,6-epoxyretinal
- Molecular formula
- C20H28O2
- Molecular weight
- 300.44
Names & synonyms
5,6-Epoxyretinal739-13-95,6-Epoxy-5,6-dihydroretinalRefChem:101225(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenal5,6-MonoepoxyretinalRetinal, 5,6-epoxy-5,6-dihydro-
Database identifiers
- CAS
739-13-9- PubChem CID
- 6441508
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 414.2 · 414.2±18.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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