1-ethylcyclohexan-1-ol

• ChemBase ID: 111169
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CCC1(O)CCCCC1
• Canonical SMILES: CCC1(O)CCCCC1
• InChI: InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
• InChIKey: BUCJHJXFXUZJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylcyclohexan-1-ol
• IUPAC Traditional name: 1-ethylcyclohexanol
• Synonyms: 1-ETHYLCYCLOHEXANOL

Database IDs

• CAS Number: 1940-18-7
• PubChem SID: 162103028
• PubChem CID: 16021

CALCULATED PROPERTIES

• Acid pKa: 19.587505
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0837924
• LogD (pH = 7.4): 2.0837924
• Log P: 2.0837924
• Molar Refractivity: 38.4377 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05218038

MP Biomedicals Rare Chemical collection