6-methyl-2-phenyl-3-(prop-1-en-2-yl)oxane

• ChemBase ID: 119342
• Molecular Formular: C15H20O
• Molecular Mass: 216.3187
• Monoisotopic Mass: 216.15141526
• SMILES: C1(C(C(=C)C)CCC(O1)C)c1ccccc1
• Canonical SMILES: CC1CCC(C(O1)c1ccccc1)C(=C)C
• InChI: InChI=1S/C15H20O/c1-11(2)14-10-9-12(3)16-15(14)13-7-5-4-6-8-13/h4-8,12,14-15H,1,9-10H2,2-3H3
• InChIKey: XIOOYALQQNYIFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenyl-3-(prop-1-en-2-yl)oxane
• IUPAC Traditional name: 6-methyl-2-phenyl-3-(prop-1-en-2-yl)oxane
• Synonyms: 6-methyl-2-phenyl-3-(prop-1-en-2-yl)tetrahydro-2H-pyran

Database IDs

• PubChem SID: 162107531
• PubChem CID: 3098042

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9246457
• LogD (pH = 7.4): 3.9246457
• Log P: 3.9246457
• Molar Refractivity: 67.2548 cm^3
• Polarizability: 26.667484 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds