4-methyloctadecane

• ChemBase ID: 109207
• Molecular Formular: C19H40
• Molecular Mass: 268.5209
• Monoisotopic Mass: 268.31300128
• SMILES: CCCCCCCCCCCCCCC(C)CCC
• Canonical SMILES: CCCCCCCCCCCCCCC(CCC)C
• InChI: InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3
• InChIKey: GEGZZJBPFKEDHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyloctadecane
• IUPAC Traditional name: 4-methyloctadecane
• Synonyms: 4-METHYLOCTADECANE

Database IDs

• CAS Number: 10544-95-3
• PubChem SID: 162094752
• PubChem CID: 517866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.752981
• LogD (pH = 7.4): 8.752981
• Log P: 8.752981
• Molar Refractivity: 89.1688 cm^3
• Polarizability: 35.83962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210215

MP Biomedicals Rare Chemical collection