2-methyl-4-[(3-methylbut-2-en-1-yl)oxy]pentan-2-ol

• ChemBase ID: 119533
• Molecular Formular: C11H22O2
• Molecular Mass: 186.29118
• Monoisotopic Mass: 186.16197994
• SMILES: C(CC(OCC=C(C)C)C)(O)(C)C
• Canonical SMILES: CC(CC(O)(C)C)OCC=C(C)C
• InChI: InChI=1S/C11H22O2/c1-9(2)6-7-13-10(3)8-11(4,5)12/h6,10,12H,7-8H2,1-5H3
• InChIKey: YWWQBSLTTHGYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-[(3-methylbut-2-en-1-yl)oxy]pentan-2-ol
• IUPAC Traditional name: 2-methyl-4-[(3-methylbut-2-en-1-yl)oxy]pentan-2-ol
• Synonyms: 2-methyl-4-((3-methylbut-2-en-1-yl)oxy)pentan-2-ol

Database IDs

• PubChem SID: 162107650
• PubChem CID: 4895098

CALCULATED PROPERTIES

• Acid pKa: 15.312691
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.96938
• LogD (pH = 7.4): 1.96938
• Log P: 1.96938
• Molar Refractivity: 56.7642 cm^3
• Polarizability: 22.061634 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true