1-(hexyloxy)octane

• ChemBase ID: 295621
• Molecular Formular: C14H30O
• Molecular Mass: 214.3874
• Monoisotopic Mass: 214.22966558
• SMILES: CCCCCCCCOCCCCCC
• Canonical SMILES: CCCCCCCCOCCCCCC
• InChI: InChI=1S/C14H30O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h3-14H2,1-2H3
• InChIKey: KUTWKGLRMXBROO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hexyloxy)octane
• IUPAC Traditional name: 1-(hexyloxy)octane
• Synonyms: 1-n-Hexyloxyoctane; n-Hexyl n-octyl ether; 正己基正辛醚

Database IDs

• CAS Number: 17071-54-4
• MDL Number: MFCD00049132
• PubChem SID: 180681152
• PubChem CID: 519362

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4397593
• LogD (pH = 7.4): 5.4397593
• Log P: 5.4397593
• Molar Refractivity: 68.3657 cm^3
• Polarizability: 27.243877 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%