1-methylcyclooctan-1-ol

• ChemBase ID: 112359
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CC1(O)CCCCCCC1
• Canonical SMILES: CC1(O)CCCCCCC1
• InChI: InChI=1S/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3
• InChIKey: YCICXFIRAMLYDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclooctan-1-ol
• IUPAC Traditional name: 1-methylcyclooctan-1-ol
• Synonyms: 1-METHYL CYCLOOCTANOL

Database IDs

• CAS Number: 59123-41-0
• PubChem SID: 162097318
• PubChem CID: 97178

CALCULATED PROPERTIES

• Acid pKa: 19.294662
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4504073
• LogD (pH = 7.4): 2.4504075
• Log P: 2.4504075
• Molar Refractivity: 43.1157 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GX9700000

DETAILS

MP Biomedicals - 05223616

MP Biomedicals Rare Chemical collection