2-methyl-4-methylidene-6-phenyloxane

• ChemBase ID: 186197
• Molecular Formular: C13H16O
• Molecular Mass: 188.26554
• Monoisotopic Mass: 188.12011513
• SMILES: O1C(CC(=C)CC1C)c1ccccc1
• Canonical SMILES: CC1OC(CC(=C)C1)c1ccccc1
• InChI: InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3
• InChIKey: GXXCNAPXUOUUFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-methylidene-6-phenyloxane
• IUPAC Traditional name: 2-methyl-4-methylidene-6-phenyloxane

Database IDs

• PubChem SID: 164242107
• PubChem CID: 121777

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.115104
• LogD (pH = 7.4): 3.115104
• Log P: 3.115104
• Molar Refractivity: 58.1822 cm^3
• Polarizability: 22.973925 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers (4:1)
• Classification: Derivatives & analogs of Natural Compounds