(2E,8R)-dec-2-en-4,6-diyne-1,8-diol

• ChemBase ID: 304659
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: OC/C=C/C#CC#C[C@@H](CC)O
• Canonical SMILES: OC/C=C/C#CC#C[C@@H](CC)O
• InChI: InChI=1S/C10H12O2/c1-2-10(12)8-6-4-3-5-7-9-11/h5,7,10-12H,2,9H2,1H3/b7-5+/t10-/m1/s1
• InChIKey: QFBMIOGKDCDLDH-BREXMAIKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,8R)-dec-2-en-4,6-diyne-1,8-diol
• IUPAC Traditional name: (2E,8R)-dec-2-en-4,6-diyne-1,8-diol
• Synonyms: (R,E)-Deca-2-ene-4,6-diyne-1,8-diol

Database IDs

• CAS Number: 931116-24-4

CALCULATED PROPERTIES

• Acid pKa: 13.983044
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.205322
• LogD (pH = 7.4): 1.2053219
• Log P: 1.205322
• Molar Refractivity: 50.9418 cm^3
• Polarizability: 17.949835 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil