hexadeca-1,11-diyne

• ChemBase ID: 303942
• Molecular Formular: C16H26
• Molecular Mass: 218.37764
• Monoisotopic Mass: 218.20345083
• SMILES: CCCCC#CCCCCCCCCC#C
• Canonical SMILES: CCCCC#CCCCCCCCCC#C
• InChI: InChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-9,11,13-16H2,2H3
• InChIKey: GRDDITZXHDRNNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadeca-1,11-diyne
• IUPAC Traditional name: hexadeca-1,11-diyne
• Synonyms: 1,11-Hexadecadiyne; 1,11-十六二炔

Database IDs

• CAS Number: 71673-32-0
• EC Number: 000-000-0
• MDL Number: MFCD00041693
• Beilstein Number: 6134547

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3543763
• LogD (pH = 7.4): 6.3543763
• Log P: 6.3543763
• Molar Refractivity: 73.2412 cm^3
• Polarizability: 28.078089 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4590

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 96%