2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidine

• ChemBase ID: 182072
• Molecular Formular: C16H29NO
• Molecular Mass: 251.40756
• Monoisotopic Mass: 251.22491455
• SMILES: C1(C(C/C=C(/CCC=C(C)C)\C)(C)C)NCCO1
• Canonical SMILES: C/C(=C\CC(C1NCCO1)(C)C)/CCC=C(C)C
• InChI: InChI=1S/C16H29NO/c1-13(2)7-6-8-14(3)9-10-16(4,5)15-17-11-12-18-15/h7,9,15,17H,6,8,10-12H2,1-5H3/b14-9+
• InChIKey: IUSIHBDWTHQPIA-NTEUORMPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidine
• IUPAC Traditional name: 2-[(4E)-2,5,9-trimethyldeca-4,8-dien-2-yl]-1,3-oxazolidine

Database IDs

• PubChem SID: 164237982
• PubChem CID: 5374859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3426428
• LogD (pH = 7.4): 2.761096
• Log P: 4.411663
• Molar Refractivity: 79.652 cm^3
• Polarizability: 31.248316 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds