icosa-1,7,13,19-tetrayne

• ChemBase ID: 110000
• Molecular Formular: C20H26
• Molecular Mass: 266.42044
• Monoisotopic Mass: 266.20345083
• SMILES: C#CCCCCC#CCCCCC#CCCCCC#C
• Canonical SMILES: C#CCCCCC#CCCCCC#CCCCCC#C
• InChI: InChI=1S/C20H26/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1-2H,5-12,17-20H2
• InChIKey: IGIBMDAYUGTBTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosa-1,7,13,19-tetrayne
• IUPAC Traditional name: icosa-1,7,13,19-tetrayne
• Synonyms: 1,7,13,19-EICOSATETRAYNE

Database IDs

• PubChem SID: 162106352
• PubChem CID: 25021606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.910203
• LogD (pH = 7.4): 6.910203
• Log P: 6.910203
• Molar Refractivity: 89.4682 cm^3
• Polarizability: 33.24786 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213340

MP Biomedicals Rare Chemical collection