2,6-dimethylundecane

• ChemBase ID: 81134
• Molecular Formular: C13H28
• Molecular Mass: 184.36142
• Monoisotopic Mass: 184.2191009
• SMILES: CC(CCCC(CCCCC)C)C
• Canonical SMILES: CCCCCC(CCCC(C)C)C
• InChI: InChI=1S/C13H28/c1-5-6-7-10-13(4)11-8-9-12(2)3/h12-13H,5-11H2,1-4H3
• InChIKey: MFUPKUZLTKVMFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylundecane
• IUPAC Traditional name: 2,6-dimethylundecane
• Synonyms: 2,6-Dimethylundecane

Database IDs

• CAS Number: 17301-23-4
• MDL Number: MFCD00048876
• PubChem SID: 162068253
• PubChem CID: 28453

CALCULATED PROPERTIES

• Log P: 5.9280195
• Molar Refractivity: 61.5104 cm^3
• Polarizability: 24.757622 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9280195
• LogD (pH = 7.4): 5.9280195

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful/Irritant

DETAILS

MP Biomedicals - 05210206

MP Biomedicals Rare Chemical collection