1-[2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-oxazolidin-3-yl]propan-1-one

• ChemBase ID: 184936
• Molecular Formular: C19H31NO2
• Molecular Mass: 305.45494
• Monoisotopic Mass: 305.23547924
• SMILES: N1(C(C(C=C=C(CCC=C(C)C)C)(C)C)OCC1)C(=O)CC
• Canonical SMILES: CCC(=O)N1CCOC1C(C=C=C(CCC=C(C)C)C)(C)C
• InChI: InChI=1S/C19H31NO2/c1-7-17(21)20-13-14-22-18(20)19(5,6)12-11-16(4)10-8-9-15(2)3/h9,12,18H,7-8,10,13-14H2,1-6H3
• InChIKey: FOTVAGTUCCEUNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-oxazolidin-3-yl]propan-1-one
• IUPAC Traditional name: 1-[2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-oxazolidin-3-yl]propan-1-one

Database IDs

• PubChem SID: 164240846
• PubChem CID: 3258583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5144944
• LogD (pH = 7.4): 4.5144944
• Log P: 4.5144944
• Molar Refractivity: 93.5255 cm^3
• Polarizability: 35.87153 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds