6-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-phenyloxane

• ChemBase ID: 182510
• Molecular Formular: C20H28O
• Molecular Mass: 284.43572
• Monoisotopic Mass: 284.21401552
• SMILES: C1(C(C(=C)CCC=C(C)C)CCC(O1)C)c1ccccc1
• Canonical SMILES: CC1CCC(C(O1)c1ccccc1)C(=C)CCC=C(C)C
• InChI: InChI=1S/C20H28O/c1-15(2)9-8-10-16(3)19-14-13-17(4)21-20(19)18-11-6-5-7-12-18/h5-7,9,11-12,17,19-20H,3,8,10,13-14H2,1-2,4H3
• InChIKey: USDNJLFMSOKPKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-phenyloxane
• IUPAC Traditional name: 6-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-phenyloxane

Database IDs

• PubChem SID: 164238420
• PubChem CID: 3436832

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5843596
• LogD (pH = 7.4): 5.5843596
• Log P: 5.5843596
• Molar Refractivity: 91.0574 cm^3
• Polarizability: 35.67029 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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