3,6,9,12,15,18-hexaoxaicosane

• ChemBase ID: 4522
• Molecular Formular: C14H30O6
• Molecular Mass: 294.3844
• Monoisotopic Mass: 294.20423868
• SMILES: CCOCCOCCOCCOCCOCCOCC
• Canonical SMILES: CCOCCOCCOCCOCCOCCOCC
• InChI: InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3
• InChIKey: IXFAFGFZFQHRLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18-hexaoxaicosane
• IUPAC Traditional name: 3,6,9,12,15,18-hexaoxaicosane
• Synonyms: 3,6,9,12,15,18-HEXAOXAICOSANE

Database IDs

• PubChem SID: 99443338; 160967954
• PubChem CID: 90206

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.6032878
• LogD (pH = 7.4): 0.6032878
• Log P: 0.6032878
• Molar Refractivity: 77.7272 cm^3
• Polarizability: 30.725832 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.48
• LOG S: -2.68
• Solubility (Water): 6.20e-01 g/l

DETAILS

DrugBank - DB06867

Drug information: experimental