1-(decyloxy)decane

• ChemBase ID: 295679
• Molecular Formular: C20H42O
• Molecular Mass: 298.54688
• Monoisotopic Mass: 298.32356596
• SMILES: CCCCCCCCCCOCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCOCCCCCCCCCC
• InChI: InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
• InChIKey: LTSWUFKUZPPYEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(decyloxy)decane
• IUPAC Traditional name: 1-(decyloxy)decane
• Synonyms: n-Decyl ether; Di-n-decyl ether; 正癸醚

Database IDs

• CAS Number: 2456-28-2
• EC Number: 219-533-7
• MDL Number: MFCD00026539
• Beilstein Number: 1705035
• PubChem SID: 180681210
• PubChem CID: 17152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.107171
• LogD (pH = 7.4): 8.107171
• Log P: 8.107171
• Molar Refractivity: 95.9717 cm^3
• Polarizability: 38.323956 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 196°C/15mm
• Density: 0.82
• Refractive Index: 1.4420

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 97%