Basic information
- CAS
55000-53-8- Standard SMILES
CCCCCCCCc1cccc2c(C)ccc(C)c12- InChIKey
BSKSLVGHMZRDLE-UHFFFAOYSA-N- Molecular formula
- C20H28
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.21910089
Names & identifiers
- Preferred name
- 1,4-Dimethyl-5-octylnaphthalene
- IUPAC
- 1,4-dimethyl-5-octylnaphthalene
- English name
- 1,4-Dimethyl-5-octylnaphthalene
- Molecular formula
- C20H28
- Molecular weight
- 268.44
Names & synonyms
1,4-DIMETHYL-5-OCTYLNAPHTHALENENaphthalene, 1,4-dimethyl-5-octyl-55000-53-8DTXSID30203547BSKSLVGHMZRDLE-UHFFFAOYSA-N1,4-dimethyl-5-octyl naphthalene1,4-Dimethyl-5-octylnaphthalene #DB-301133
Database identifiers
- CAS
55000-53-8- PubChem CID
- 41283
- DTXSID
DTXSID30203547- Nikkaji
- J114.141D
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 346.6 °C · 346.6°C (rough estimate)
- Density
- 0.945 · 0.9450 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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