1,20-dibromoicosane

• ChemBase ID: 107629
• Molecular Formular: C20H40Br2
• Molecular Mass: 440.3396
• Monoisotopic Mass: 438.14967528
• SMILES: BrCCCCCCCCCCCCCCCCCCCCBr
• Canonical SMILES: BrCCCCCCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C20H40Br2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h1-20H2
• InChIKey: AYGKJDVBWSEQHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,20-dibromoicosane
• IUPAC Traditional name: 1,20-dibromoicosane
• Synonyms: 1,20-DIBROMOEICOSANE

Database IDs

• PubChem SID: 162106071
• PubChem CID: 545761

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.561916
• LogD (pH = 7.4): 9.561916
• Log P: 9.561916
• Molar Refractivity: 109.7486 cm^3
• Polarizability: 42.77861 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05204402

MP Biomedicals Rare Chemical collection