1-ethynylcyclooctan-1-ol

• ChemBase ID: 106865
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: OC1(CCCCCCC1)C#C
• Canonical SMILES: C#CC1(O)CCCCCCC1
• InChI: InChI=1S/C10H16O/c1-2-10(11)8-6-4-3-5-7-9-10/h1,11H,3-9H2
• InChIKey: DHAPUKCAOFQTIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethynylcyclooctan-1-ol
• IUPAC Traditional name: 1-ethynylcyclooctan-1-ol
• Synonyms: 1-ETHYNYL-1-CYCLOOCTANOL

Database IDs

• CAS Number: 55373-76-7
• PubChem SID: 162093222
• PubChem CID: 123539

CALCULATED PROPERTIES

• Acid pKa: 16.679443
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3216825
• LogD (pH = 7.4): 2.3216825
• Log P: 2.3216825
• Molar Refractivity: 45.9473 cm^3
• Polarizability: 17.944082 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201680

MP Biomedicals Rare Chemical collection