2,6-dimethylocta-2,6-diene

• ChemBase ID: 111774
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: C/C=C(\C)/CCC=C(C)C
• Canonical SMILES: C/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3
• InChIKey: MZPDTOMKQCMETI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylocta-2,6-diene
• IUPAC Traditional name: 2,6-dimethylocta-2,6-diene
• Synonyms: 2,6-DIMETHYL-2-trans-6-OCTADIENE; 2,6-DIMETHYL-2-cis-6-OCTADIENE

Database IDs

• CAS Number: 2792-39-4; 2609-23-6
• PubChem SID: 162098166
• PubChem CID: 5365898

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7831545
• LogD (pH = 7.4): 3.7831545
• Log P: 3.7831545
• Molar Refractivity: 49.4074 cm^3
• Polarizability: 18.763096 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223519

MP Biomedicals Rare Chemical collection