Agn-PC-0lcrxv

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Basic information

CAS: 21894-94-0
Standard SMILES: Cc1cc(Cc2c(C)c(C)c(C)c(C)c2C)c(C)c(C)c1C
InChIKey: ASWIFNGZSJSFER-UHFFFAOYSA-N
Molecular formula: C22H30
Average molar mass: 294.5 g/mol
Monoisotopic mass: 294.23475096

Names & identifiers

Preferred name: Agn-PC-0lcrxv
IUPAC: 1,2,3,4,5-pentamethyl-6-[(2,3,4,5-tetramethylphenyl)methyl]benzene
English name: Benzene, 1,2,3,4,5-pentamethyl-6-[(2,3,4,5-tetramethylphenyl)methyl]-
Molecular formula: C22H30
Molecular weight: 294.47

Names & synonyms

AGN-PC-0LCRXV21894-94-0DTXSID60403992RefChem:317642DTXCID303548461,2,3,4,5-pentamethyl-6-[(2,3,4,5-tetramethylphenyl)methyl]benzeneSCHEMBL7933577AKOS0243237691,2,3,4,5-PENTAMETHYL-6-(2,3,4,5-TETRAMETHYLBENZYL)BENZENEBenzene, 1,2,3,4,5-pentamethyl-6-[(2,3,4,5-tetramethylphenyl)methyl]-

Database identifiers

CAS: 21894-94-0
PubChem CID: 4531384
DTXSID: DTXSID60403992
Nikkaji: J1.423.679A

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 343

Physicochemical properties

Melting point: 182.5 · 182.5-183.5 °C
Boiling point: 432 · 432.0±40.0 °C(Predicted)
Density: 0.933 · 0.933±0.06 g/cm3(Predicted)

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Compound notes

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