1-bromo-2,4-dimethylcyclohexane

• ChemBase ID: 274234
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: C1(C(CCC(C1)C)Br)C
• Canonical SMILES: CC1CCC(C(C1)C)Br
• InChI: InChI=1S/C8H15Br/c1-6-3-4-8(9)7(2)5-6/h6-8H,3-5H2,1-2H3
• InChIKey: YBTMLRRPKMREHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,4-dimethylcyclohexane
• IUPAC Traditional name: 1-bromo-2,4-dimethylcyclohexane
• Synonyms: 1-bromo-2,4-dimethylcyclohexane

Database IDs

• MDL Number: MFCD16092592
• PubChem SID: 164330144
• PubChem CID: 44557995

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4727726
• LogD (pH = 7.4): 3.4727726
• Log P: 3.4727726
• Molar Refractivity: 44.3302 cm^3
• Polarizability: 17.390095 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.365

Product Information

• Purity: 95%