(2,2,3,3-tetramethylcyclopropyl)methanol

• ChemBase ID: 286592
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C1(C(C1CO)(C)C)(C)C
• Canonical SMILES: OCC1C(C1(C)C)(C)C
• InChI: InChI=1S/C8H16O/c1-7(2)6(5-9)8(7,3)4/h6,9H,5H2,1-4H3
• InChIKey: JWMVEHPZNUNGIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,3,3-tetramethylcyclopropyl)methanol
• IUPAC Traditional name: (2,2,3,3-tetramethylcyclopropyl)methanol
• Synonyms: (2,2,3,3-tetramethylcyclopropyl)methanol

Database IDs

• MDL Number: MFCD21783553
• PubChem SID: 180672123
• PubChem CID: 544179

CALCULATED PROPERTIES

• Acid pKa: 18.089294
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4361327
• LogD (pH = 7.4): 1.4361327
• Log P: 1.4361327
• Molar Refractivity: 38.2507 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.805

Product Information

• Purity: 95%