3-bromo-3-ethylpentane

• ChemBase ID: 798240
• Molecular Formular: C7H15Br
• Molecular Mass: 179.098
• Monoisotopic Mass: 178.03571248
• SMILES: CCC(CC)(CC)Br
• Canonical SMILES: CCC(CC)(CC)Br
• InChI: InChI=1S/C7H15Br/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
• InChIKey: VBWMTSXDBBJVHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-3-ethylpentane
• IUPAC Traditional name: 3-bromo-3-ethylpentane
• Synonyms: 3-broMo-3-ethylpentane

Database IDs

• CAS Number: 73908-04-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6430368
• LogD (pH = 7.4): 3.6430368
• Log P: 3.6430368
• Molar Refractivity: 41.6734 cm^3
• Polarizability: 16.27605 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%