2,6,11,15-tetramethylhexadecane

• ChemBase ID: 112148
• Molecular Formular: C20H42
• Molecular Mass: 282.54748
• Monoisotopic Mass: 282.32865134
• SMILES: CC(C)CCCC(C)CCCCC(C)CCCC(C)C
• Canonical SMILES: CC(CCCC(C)C)CCCCC(CCCC(C)C)C
• InChI: InChI=1S/C20H42/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h17-20H,7-16H2,1-6H3
• InChIKey: KKFZXXATNGJPJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6,11,15-tetramethylhexadecane
• IUPAC Traditional name: 2,6,11,15-tetramethylhexadecane
• Synonyms: 2,6,11,15-TETRAMETHYLHEXADECANE

Database IDs

• CAS Number: 504-44-9
• PubChem SID: 162096898
• PubChem CID: 136331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.724901
• LogD (pH = 7.4): 8.724901
• Log P: 8.724901
• Molar Refractivity: 93.6126 cm^3
• Polarizability: 37.686634 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: MO1370000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:18-22-27
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05222733

MP Biomedicals Rare Chemical collection