alpha-Retinyl acetate
Basic information
- CAS
53250-57-0- Standard SMILES
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CCCC1(C)C- InChIKey
LIMNLJYOCLMDIH-QHLGVNSISA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.24023026
Names & identifiers
- Preferred name
- alpha-Retinyl acetate
- IUPAC
- [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenyl] acetate
Names & synonyms
alpha-Retinyl acetate4,5-Didehydro-5,6-dihydroretinol acetateRetinol, 4,5-didehydro-5,6-dihydro-, acetate53250-57-0SCHEMBL30958712
Database identifiers
- CAS
53250-57-0- PubChem CID
- 6441065
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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