Basic information
- CAS
7225-70-9- Standard SMILES
CCCCCCCCC(CCc1ccccc1)CCc1ccccc1- InChIKey
KWXGNTNJHNGHDF-UHFFFAOYSA-N- Molecular formula
- C25H36
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.28170115
Names & identifiers
- Preferred name
- Undecane, 3-phenethyl-1-phenyl-
- IUPAC
- 3-(2-phenylethyl)undecylbenzene
- English name
- 1-Phenyl-3-(2-phenylethyl)undecane
- Molecular weight
- 0
Names & synonyms
Undecane, 3-phenethyl-1-phenyl-7225-70-91-Phenyl-3-(2'-phenylethyl)undecane(3-Octylpentane-1,5-diyl)dibenzene1-Phenyl-3-(2-phenethyl)hendecane1-Phenyl-3-(2-phenylethyl)hendecane[3-(2-Phenylethyl)undecyl]benzene1-Phenyl-3-(2-phenylethyl)undecaneNSC156335SCHEMBL8101264DTXSID80992999KWXGNTNJHNGHDF-UHFFFAOYSA-N
Show more names
3-Phenethyl-1-phenylundecane
1-Phenyl-3-(2-phenethyl)undecane[3-(2-Phenylethyl)undecyl]benzene #NSC-1563351-phenyl-3-(2-phenyl-ethyl)-undecaneBenzene, 1,1'-(3-octyl-1,5-pentanediyl)bis-
Database identifiers
- CAS
7225-70-9- PubChem CID
- 291315
- DTXSID
DTXSID80992999- Nikkaji
- J114.135J
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 408 °C · 408°C (rough estimate)
- Density
- 0.922 · 0.9220 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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