Basic information
- CAS
32450-56-9- Standard SMILES
COC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
XWULCDOSZPRLEQ-QHLGVNSISA-N- Molecular formula
- C21H32O
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.24531564
Overview
RN given refers to (all-E)-isomer
Names & identifiers
- Preferred name
- Retinyl methyl ether
- IUPAC
- 2-[(1E,3E,5E,7E)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
- English name
- (all-E)-2-(9-methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexene
- Molecular formula
- C21H32O
- Molecular weight
- 300.48
Names & synonyms
Retinyl methyl ether32450-56-9DTXSID0013153932-(9-Methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexeneRefChem:178991DTXCID301745303251-054-92-[(1E,3E,5E,7E)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene(All-E)-2-(9-methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexeneEINECS 251-054-9O~15~-MethylretinolRO 1-5218
Show more names
Retin, 15-methoxy-Vitamin A methyl ether2-[(1E,3E,5E,7E)-9-Methoxy-3,7-dimethyl-1,3,5,7-nonatetrenyl]-1,3,3-trimethyl-1-cyclohexene
SCHEMBL13701590XWULCDOSZPRLEQ-QHLGVNSISA-NCyclohexene, 2-(9-methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethyl-, (all-E)-DB-226890
Database identifiers
- CAS
32450-56-9
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Melting point
- 55 °C · 55 °C(Solv: methanol (67-56-1); acetone (67-64-1))
- Boiling point
- 110 · 110-120 °C(Press: 0.001 Torr)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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