Basic information
- CAS
93894-24-7- Standard SMILES
COC(Cc1ccccc1)OC/C=C(\C)CCC=C(C)C- InChIKey
QKRGIVHDLCRAPW-GHRIWEEISA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893013
Names & identifiers
- Preferred name
- (E)-(2-(3,7-Dimethyl-2,6-octadienyloxy)-2-methoxyethyl)benzene
- IUPAC
- [2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-methoxyethyl]benzene
- English name
- (E)-[2-(3,7-dimethyl-2,6-octadienyloxy)-2-methoxyethyl]benzene
- Molecular formula
- C19H28O2
- Molecular weight
- 288.42
Names & synonyms
EINECS 299-720-893894-24-7(E)-(2-(3,7-Dimethyl-2,6-octadienyloxy)-2-methoxyethyl)benzeneQKRGIVHDLCRAPW-GHRIWEEISA-NDTXSID401158040(2-{[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}-2-METHOXYETHYL)BENZENENS00091938Benzene, [2-[(3,7-dimethyl-2,6-octadienyl)oxy]-2-methoxyethyl]-, (E)-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-methoxyethyl]benzene(E)-[2-(3,7-dimethyl-2,6-octadienyloxy)-2-methoxyethyl]benzene[2-[[(2E)-3,7-Dimethyl-2,6-octadienyl]oxy]-2-methoxyethyl]benzeneBenzene, [2-[(3,7-dimethyl-2,6-octadienyl)oxy]-2-methoxyethyl]-, (E)- (9CI)
Database identifiers
- CAS
93894-24-7- PubChem CID
- 6366289
- DTXSID
DTXSID401158040- EC Number
- 299-720-8
- Nikkaji
- J318.596F
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 375.7 · 375.7±30.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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