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

• ChemBase ID: 218584
• Molecular Formular: C18H29NO2
• Molecular Mass: 291.42836
• Monoisotopic Mass: 291.21982917
• SMILES: N1(C(C(C=C=C(CCC=C(C)C)C)(C)C)OCC1)C(=O)C
• Canonical SMILES: CC(=C=CC(C1OCCN1C(=O)C)(C)C)CCC=C(C)C
• InChI: InChI=1S/C18H29NO2/c1-14(2)8-7-9-15(3)10-11-18(5,6)17-19(16(4)20)12-13-21-17/h8,11,17H,7,9,12-13H2,1-6H3
• InChIKey: OPHXRYXWKFSWOH-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]ethan-1-one
• IUPAC Traditional name: 1-[2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-oxazolidin-3-yl]ethanone

Database IDs

• PubChem SID: 164274494
• PubChem CID: 2828788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8139584
• LogD (pH = 7.4): 3.8139586
• Log P: 3.8139586
• Molar Refractivity: 88.8986 cm^3
• Polarizability: 34.027336 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds