7-methylhexadecane

• ChemBase ID: 112364
• Molecular Formular: C17H36
• Molecular Mass: 240.46774
• Monoisotopic Mass: 240.28170115
• SMILES: CCCCCCCCCC(C)CCCCCC
• Canonical SMILES: CCCCCCCCCC(CCCCCC)C
• InChI: InChI=1S/C17H36/c1-4-6-8-10-11-12-14-16-17(3)15-13-9-7-5-2/h17H,4-16H2,1-3H3
• InChIKey: HZRSSYSIMDTFLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylhexadecane
• IUPAC Traditional name: 7-methylhexadecane
• Synonyms: 7-METHYL HEXADECANE

Database IDs

• CAS Number: 26730-20-1
• PubChem SID: 162097404
• PubChem CID: 292733

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.8638434
• LogD (pH = 7.4): 7.8638434
• Log P: 7.8638434
• Molar Refractivity: 79.9668 cm^3
• Polarizability: 32.1456 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05223629

MP Biomedicals Rare Chemical collection