tetradeca-5,9-diene

• ChemBase ID: 112131
• Molecular Formular: C14H26
• Molecular Mass: 194.35624
• Monoisotopic Mass: 194.20345083
• SMILES: CCCC/C=C/CC/C=C/CCCC
• Canonical SMILES: CCCC/C=C/CC/C=C/CCCC
• InChI: InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
• InChIKey: QPGLLZJMHJDJDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradeca-5,9-diene
• IUPAC Traditional name: tetradeca-5,9-diene
• Synonyms: cis,cis-5,9-TETRADECADIENE

Database IDs

• PubChem SID: 162106741
• PubChem CID: 6536873

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.963844
• LogD (pH = 7.4): 5.963844
• Log P: 5.963844
• Molar Refractivity: 68.4494 cm^3
• Polarizability: 26.149014 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222683

MP Biomedicals Rare Chemical collection