3-methylpentadecane

• ChemBase ID: 111828
• Molecular Formular: C16H34
• Molecular Mass: 226.44116
• Monoisotopic Mass: 226.26605109
• SMILES: CCCCCCCCCCCCC(C)CC
• Canonical SMILES: CCCCCCCCCCCCC(CC)C
• InChI: InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3
• InChIKey: FWXKCXJPHSAYMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpentadecane
• IUPAC Traditional name: 3-methylpentadecane
• Synonyms: 3-METHYLPENTADECANE

Database IDs

• CAS Number: 2882-96-4
• PubChem SID: 162096720
• PubChem CID: 17899

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.419275
• LogD (pH = 7.4): 7.419275
• Log P: 7.419275
• Molar Refractivity: 75.3658 cm^3
• Polarizability: 30.298597 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05221202

MP Biomedicals Rare Chemical collection