3,4-di-tert-butyl-2,2,5,5-tetramethylhex-3-ene

• ChemBase ID: 129764
• Molecular Formular: C18H36
• Molecular Mass: 252.47844
• Monoisotopic Mass: 252.28170115
• SMILES: CC(C)(C)C(=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC(C(=C(C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• InChI: InChI=1S/C18H36/c1-15(2,3)13(16(4,5)6)14(17(7,8)9)18(10,11)12/h1-12H3
• InChIKey: WXTSAYDLWHISDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-di-tert-butyl-2,2,5,5-tetramethylhex-3-ene
• IUPAC Traditional name: tetra-tert-butylethylene
• Synonyms: Tetra-tert-butylethylene

Database IDs

• CAS Number: 75245-23-7
• PubChem SID: 162224053
• PubChem CID: 13179773
• Chemspider ID: 19627020
• Wikipedia Title: Tetra-tert-butylethylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.493341
• LogD (pH = 7.4): 6.493341
• Log P: 6.493341
• Molar Refractivity: 84.3856 cm^3
• Polarizability: 33.763847 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false