(3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol

• ChemBase ID: 306042
• Molecular Formular: C17H24O
• Molecular Mass: 244.37186
• Monoisotopic Mass: 244.18271539
• SMILES: C=C[C@H](C#CC#CC/C=C\CCCCCCC)O
• Canonical SMILES: CCCCCCC/C=C\CC#CC#C[C@@H](C=C)O
• InChI: InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
• InChIKey: UGJAEDFOKNAMQD-QXPKXGMISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
• IUPAC Traditional name: falcarinol
• Synonyms: Falcarinol

Database IDs

• CAS Number: 21852-80-2

CALCULATED PROPERTIES

• Acid pKa: 13.289411
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.449993
• LogD (pH = 7.4): 5.4499927
• Log P: 5.449993
• Molar Refractivity: 81.2642 cm^3
• Polarizability: 30.027004 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 0.0