1-ethynylcyclododecan-1-ol

• ChemBase ID: 119526
• Molecular Formular: C14H24O
• Molecular Mass: 208.33976
• Monoisotopic Mass: 208.18271539
• SMILES: C(#C)C1(O)CCCCCCCCCCC1
• Canonical SMILES: C#CC1(O)CCCCCCCCCCC1
• InChI: InChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
• InChIKey: DCHDUZYXRMNPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethynylcyclododecan-1-ol
• IUPAC Traditional name: 1-ethynylcyclododecan-1-ol
• Synonyms: 1-ethynylcyclododecanol

Database IDs

• PubChem SID: 162107645
• PubChem CID: 2828296

CALCULATED PROPERTIES

• Acid pKa: 16.702654
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.099957
• LogD (pH = 7.4): 4.099957
• Log P: 4.099957
• Molar Refractivity: 64.3513 cm^3
• Polarizability: 25.324482 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true