2-methyloctadecane

• ChemBase ID: 111807
• Molecular Formular: C19H40
• Molecular Mass: 268.5209
• Monoisotopic Mass: 268.31300128
• SMILES: CCCCCCCCCCCCCCCCC(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCCC(C)C
• InChI: InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3
• InChIKey: KVQVGSDBGJXNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloctadecane
• IUPAC Traditional name: 2-methyloctadecane
• Synonyms: 2-METHYLOCTADECANE

Database IDs

• CAS Number: 1560-88-9
• PubChem SID: 162096788
• PubChem CID: 15264

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 - 05221118

MP Biomedicals Rare Chemical collection