3-methylnonadecane

• ChemBase ID: 111831
• Molecular Formular: C20H42
• Molecular Mass: 282.54748
• Monoisotopic Mass: 282.32865134
• SMILES: CCCCCCCCCCCCCCCCC(C)CC
• Canonical SMILES: CCCCCCCCCCCCCCCCC(CC)C
• InChI: InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3
• InChIKey: NYRRMADCQLTNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylnonadecane
• IUPAC Traditional name: 3-methylnonadecane
• Synonyms: 3-METHYLNONADECANE

Database IDs

• CAS Number: 6418-45-7
• PubChem SID: 162096862
• PubChem CID: 94322

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.19755
• LogD (pH = 7.4): 9.19755
• Log P: 9.19755
• Molar Refractivity: 93.7698 cm^3
• Polarizability: 37.686634 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• 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 - 05221215

MP Biomedicals Rare Chemical collection