5-(2-methylpropyl)-2-phenyl-3-(prop-1-en-2-yl)oxolane

• ChemBase ID: 182079
• Molecular Formular: C17H24O
• Molecular Mass: 244.37186
• Monoisotopic Mass: 244.18271539
• SMILES: C1(C(C(=C)C)CC(O1)CC(C)C)c1ccccc1
• Canonical SMILES: CC(CC1CC(C(O1)c1ccccc1)C(=C)C)C
• InChI: InChI=1S/C17H24O/c1-12(2)10-15-11-16(13(3)4)17(18-15)14-8-6-5-7-9-14/h5-9,12,15-17H,3,10-11H2,1-2,4H3
• InChIKey: NVMGRFPZTHTFKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpropyl)-2-phenyl-3-(prop-1-en-2-yl)oxolane
• IUPAC Traditional name: 5-(2-methylpropyl)-2-phenyl-3-(prop-1-en-2-yl)oxolane

Database IDs

• PubChem SID: 164237989
• PubChem CID: 3752680

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.734187
• LogD (pH = 7.4): 4.734187
• Log P: 4.734187
• Molar Refractivity: 76.3274 cm^3
• Polarizability: 30.3612 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomer
• Classification: Derivatives & analogs of Natural Compounds