non-1-yn-1-ylbenzene

• ChemBase ID: 112826
• Molecular Formular: C15H20
• Molecular Mass: 200.3193
• Monoisotopic Mass: 200.15650064
• SMILES: CCCCCCCC#Cc1ccccc1
• Canonical SMILES: CCCCCCCC#Cc1ccccc1
• InChI: InChI=1S/C15H20/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7H2,1H3
• InChIKey: ZRQWNFWWPPYNFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-1-yn-1-ylbenzene
• IUPAC Traditional name: non-1-yn-1-ylbenzene
• Synonyms: 1-PHENYL-1-NONYNE

Database IDs

• CAS Number: 57718-18-0
• PubChem SID: 162098313
• PubChem CID: 143501

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.627923
• LogD (pH = 7.4): 5.627923
• Log P: 5.627923
• Molar Refractivity: 64.3371 cm^3
• Polarizability: 25.895441 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05226046

MP Biomedicals Rare Chemical collection