(1-methylcycloheptyl)methanol

• ChemBase ID: 248402
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C1(CO)(C)CCCCCC1
• Canonical SMILES: OCC1(C)CCCCCC1
• InChI: InChI=1S/C9H18O/c1-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3
• InChIKey: QSBHAGWVTQJGHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcycloheptyl)methanol
• IUPAC Traditional name: (1-methylcycloheptyl)methanol
• Synonyms: (1-methylcycloheptyl)methanol

Database IDs

• MDL Number: MFCD23131384
• PubChem SID: 164304312
• PubChem CID: 71758480

CALCULATED PROPERTIES

• Acid pKa: 18.277367
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4182756
• LogD (pH = 7.4): 2.4182758
• Log P: 2.4182758
• Molar Refractivity: 43.0054 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.964

Product Information

• Purity: 95%