5,6-Dihydro-1,1,5,9,13-desmethylretinal
Basic information
- CAS
76080-85-8- Standard SMILES
O=C\C=C/C=C\C=C/C=C\C1CCCCC1- InChIKey
JOSULPBJOHYCCP-FOWUHHELSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Overview
structure given in first source; RN given refers to (all-E)-isomer
Names & identifiers
- Preferred name
- 5,6-Dihydro-1,1,5,9,13-desmethylretinal
- IUPAC
- (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
- English name
- 5,6-dihydro-1,1,5,9,13-desmethylretinal
- Molecular formula
- C15H20O
- Molecular weight
- 216.3187
Names & synonyms
5,6-Dihydrodesmethylretinal76080-85-85,6-Dihydro-1,1,5,9,13-desmethylretinal2,4,6,8-Nonatetraenal, 9-cyclohexyl-, (all-E)-RefChem:101145(2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
Database identifiers
- CAS
76080-85-8- PubChem CID
- 6444035
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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