undec-5-yne

• ChemBase ID: 112821
• Molecular Formular: C11H20
• Molecular Mass: 152.2765
• Monoisotopic Mass: 152.15650064
• SMILES: CCCCCC#CCCCC
• Canonical SMILES: CCCCCC#CCCCC
• InChI: InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3
• InChIKey: VRQLDBSWBBKOCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-5-yne
• IUPAC Traditional name: 5-undecyne
• Synonyms: 5-UNDECYNE

Database IDs

• CAS Number: 2294-72-6
• PubChem SID: 162098325
• PubChem CID: 137530

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.938688
• LogD (pH = 7.4): 4.938688
• Log P: 4.938688
• Molar Refractivity: 51.774597 cm^3
• Polarizability: 19.95288 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05226038

MP Biomedicals Rare Chemical collection