docos-1-ene

• ChemBase ID: 107651
• Molecular Formular: C22H44
• Molecular Mass: 308.58476
• Monoisotopic Mass: 308.34430141
• SMILES: CCCCCCCCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
• InChIKey: SPURMHFLEKVAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docos-1-ene
• IUPAC Traditional name: 1-docosene
• Synonyms: 1-DOCOSENE

Database IDs

• CAS Number: 1599-67-3
• PubChem SID: 162093260
• PubChem CID: 74138

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.9402485
• LogD (pH = 7.4): 9.9402485
• Log P: 9.9402485
• Molar Refractivity: 103.0683 cm^3
• Polarizability: 41.151653 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false