2 5-Didodecyl-1 4-di-1-propynylbenzene

• CAS: 219628-01-0
• Catalog Number: ACM219628010
• Category: Organic & Printed Electronics
• Molecular Weight: 490.8g/mol
• Molecular Formula: C36H58
• IUPAC Name: 1,4-didodecyl-2,5-bis(prop-1-ynyl)benzene
• Canonical SMILES: CCCCCCCCCCCCC1=CC(=C(C=C1C#CC)CCCCCCCCCCCC)C#CC
• InChI: InChI=1S/C36H58/c1-5-9-11-13-15-17-19-21-23-25-29-35-31-34(28-8-4)36(32-33(35)27-7-3)30-26-24-22-20-18-16-14-12-10-6-2/h31-32H,5-6,9-26,29-30H2,1-4H3
• InChI Key: QCWGPRMXEPJPFN-UHFFFAOYSA-N
• Complexity: 559
• Covalently-Bonded Unit Count: 1
• Exact Mass: 490.453852g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Monoisotopic Mass: 490.453852g/mol
• Rotatable Bond Count: 24
• XLogP3: 15.9