2,7-dimethylocta-2,6-diene

• ChemBase ID: 111405
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CC(=CCCC=C(C)C)C
• Canonical SMILES: CC(=CCCC=C(C)C)C
• InChI: InChI=1S/C10H18/c1-9(2)7-5-6-8-10(3)4/h7-8H,5-6H2,1-4H3
• InChIKey: PSOPUECGKNQIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethylocta-2,6-diene
• IUPAC Traditional name: 2,6-octadiene, 2,7-dimethyl-
• Synonyms: 2,7-DIMETHYL-2,6-OCTADIENE

Database IDs

• CAS Number: 16736-42-8
• PubChem SID: 162096687
• PubChem CID: 519299

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 - 05219036

MP Biomedicals Rare Chemical collection