hexaethylbenzene

• ChemBase ID: 110308
• Molecular Formular: C18H30
• Molecular Mass: 246.4308
• Monoisotopic Mass: 246.23475096
• SMILES: CCc1c(CC)c(CC)c(CC)c(CC)c1CC
• Canonical SMILES: CCc1c(CC)c(CC)c(c(c1CC)CC)CC
• InChI: InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
• InChIKey: LXSMILGNHYBUCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexaethylbenzene
• IUPAC Traditional name: benzene, hexaethyl-
• Synonyms: HEXAETHYLBENZENE

Database IDs

• CAS Number: 604-88-6
• PubChem SID: 162095938
• PubChem CID: 11791

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.721186
• LogD (pH = 7.4): 7.721186
• Log P: 7.721186
• Molar Refractivity: 83.9112 cm^3
• Polarizability: 32.059128 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130°C
• Boiling Point: 298°C

DETAILS

MP Biomedicals - 05214507

MP Biomedicals Rare Chemical collection