3,3-di-tert-butyl-2,2,4,4-tetramethylpentane

• ChemBase ID: 129765
• Molecular Formular: C17H36
• Molecular Mass: 240.46774
• Monoisotopic Mass: 240.28170115
• SMILES: CC(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
• InChI: InChI=1S/C17H36/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3
• InChIKey: CHNAIAPYMXIYRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-di-tert-butyl-2,2,4,4-tetramethylpentane
• IUPAC Traditional name: tetra-tert-butylmethane
• Synonyms: Tetra-tert-butylmethane

Database IDs

• CAS Number: 4103-17-7
• PubChem SID: 162224054
• PubChem CID: 14123361
• Chemspider ID: 14288112
• Wikipedia Title: Tetra-tert-butylmethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.511038
• LogD (pH = 7.4): 6.511038
• Log P: 6.511038
• Molar Refractivity: 79.1277 cm^3
• Polarizability: 32.1456 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false