undeca-2,9-diyne

• ChemBase ID: 112823
• Molecular Formular: C11H16
• Molecular Mass: 148.24474
• Monoisotopic Mass: 148.12520051
• SMILES: CC#CCCCCCC#CC
• Canonical SMILES: CC#CCCCCCC#CC
• InChI: InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h7-11H2,1-2H3
• InChIKey: FKKNTXVGHXTKPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undeca-2,9-diyne
• IUPAC Traditional name: undeca-2,9-diyne
• Synonyms: 2,9-UNDECADIYNE

Database IDs

• CAS Number: 1785-53-1
• PubChem SID: 162097823
• PubChem CID: 13351096

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5233946
• LogD (pH = 7.4): 4.5233946
• Log P: 4.5233946
• Molar Refractivity: 51.135998 cm^3
• Polarizability: 18.842913 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05226041

MP Biomedicals Rare Chemical collection