Retinyl hexadecyl ether
Basic information
- CAS
85563-59-3- Standard SMILES
CCCCCCCCCCCCCCCCOC\C=C(C)/C=C\C=C(C)/C=C\C1=C(C)CCCC1(C)C- InChIKey
ONBDQOVKVMPAMX-VWEFBKHSSA-N- Molecular formula
- C36H62O
- Average molar mass
- 510.9 g/mol
- Monoisotopic mass
- 510.4800666
Names & identifiers
- Preferred name
- Retinyl hexadecyl ether
- IUPAC
- 2-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
- English name
- retinyl hexadecyl ether
- Molecular formula
- C36H62O
- Molecular weight
- 510.88
Names & synonyms
Retinyl hexadecyl ether85563-59-3Cyclohexene, 2-(9-(hexadecyloxy)-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethyl-, (all-E)-RefChem:1789902-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexeneRetin, 15-(hexadecyloxy)- (9CI)
Database identifiers
- CAS
85563-59-3- PubChem CID
- 6439710
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 21
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 728
Physicochemical properties
- Boiling point
- 593.8 · 593.8±19.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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