dec-1-yn-1-ol

• ChemBase ID: 301988
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCCCCCC#CO
• Canonical SMILES: CCCCCCCCC#CO
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-8H2,1H3
• InChIKey: RPLOSEMBQMPVEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-1-yn-1-ol
• IUPAC Traditional name: dec-1-yn-1-ol
• Synonyms: 2-Decyn-1-ol; 2-十烯-1-醇

Database IDs

• CAS Number: 4117-14-0
• EC Number: 000-000-0
• MDL Number: MFCD00041567
• Beilstein Number: 1852842

CALCULATED PROPERTIES

• Acid pKa: 4.708543
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2338428
• LogD (pH = 7.4): 0.55787456
• Log P: 3.0879
• Molar Refractivity: 47.2554 cm^3
• Polarizability: 18.679144 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114-116°C/6mm
• Flash Point: >110°C(230°F)
• Density: 0.855
• Refractive Index: 1.4585

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%