non-3-yne

• ChemBase ID: 109252
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: CCCCCC#CCC
• Canonical SMILES: CCCCCC#CCC
• InChI: InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-5,7,9H2,1-2H3
• InChIKey: SRRDSRCWRHKEKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-3-yne
• IUPAC Traditional name: 3-nonyne
• Synonyms: 3-NONYNE

Database IDs

• CAS Number: 20184-89-8
• PubChem SID: 162096142
• PubChem CID: 140649

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0495505
• LogD (pH = 7.4): 4.0495505
• Log P: 4.0495505
• Molar Refractivity: 42.572598 cm^3
• Polarizability: 16.258823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210341

MP Biomedicals Rare Chemical collection