1-{2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidin-3-yl}ethan-1-one

• ChemBase ID: 180759
• Molecular Formular: C18H31NO2
• Molecular Mass: 293.44424
• Monoisotopic Mass: 293.23547924
• SMILES: N1(C(C(C/C=C(/CCC=C(C)C)\C)(C)C)OCC1)C(=O)C
• Canonical SMILES: C/C(=C\CC(C1OCCN1C(=O)C)(C)C)/CCC=C(C)C
• InChI: InChI=1S/C18H31NO2/c1-14(2)8-7-9-15(3)10-11-18(5,6)17-19(16(4)20)12-13-21-17/h8,10,17H,7,9,11-13H2,1-6H3/b15-10+
• InChIKey: KSTUEKRRVXUVIG-XNTDXEJSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-{2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidin-3-yl}ethanone

Database IDs

• PubChem SID: 164236669
• PubChem CID: 5717511

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.021605
• LogD (pH = 7.4): 4.0216055
• Log P: 4.0216055
• Molar Refractivity: 89.2179 cm^3
• Polarizability: 34.577927 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