1-(bromomethyl)-1-methylcyclohexane

• ChemBase ID: 237959
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: C1(CBr)(C)CCCCC1
• Canonical SMILES: BrCC1(C)CCCCC1
• InChI: InChI=1S/C8H15Br/c1-8(7-9)5-3-2-4-6-8/h2-7H2,1H3
• InChIKey: QGSSEDLIZIGPGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-1-methylcyclohexane
• IUPAC Traditional name: 1-(bromomethyl)-1-methylcyclohexane
• Synonyms: 1-(bromomethyl)-1-methylcyclohexane

Database IDs

• MDL Number: MFCD09608036
• PubChem SID: 164293869
• PubChem CID: 42614774

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5137942
• LogD (pH = 7.4): 3.5137942
• Log P: 3.5137942
• Molar Refractivity: 44.4389 cm^3
• Polarizability: 17.388481 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.245

Product Information

• Purity: 95%