9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraen-1-ol (all-E)-
Basic information
- CAS
61630-49-7- Standard SMILES
COc1cc(C)c(\C=C/C(C)=C\C=C/C(C)=C\CO)c(C)c1C- InChIKey
JXUOVCIJEVWWSG-GXUHUTMMSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- 9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraen-1-ol (all-E)-
- IUPAC
- (2Z,4Z,6Z,8Z)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
Names & synonyms
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraen-1-ol (all-E)-61630-49-7(all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8- nonatetraen-1-ol2,4,6,8,-Nonatetraen-1-ol, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (all-E)-
Database identifiers
- CAS
61630-49-7- PubChem CID
- 6439963
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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