4,8-dimethylnona-1,3,7-triene

• ChemBase ID: 244468
• Molecular Formular: C11H18
• Molecular Mass: 150.26062
• Monoisotopic Mass: 150.14085058
• SMILES: C(=C(\CCC=C(C)C)/C)/C=C
• Canonical SMILES: C=C/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3
• InChIKey: LUKZREJJLWEWQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethylnona-1,3,7-triene
• IUPAC Traditional name: 4,8-dimethylnona-1,3,7-triene
• Synonyms: 4,8-dimethylnona-1,3,7-triene

Database IDs

• MDL Number: MFCD13180489
• PubChem SID: 164300378
• PubChem CID: 6427110

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9237351
• LogD (pH = 7.4): 3.9237351
• Log P: 3.9237351
• Molar Refractivity: 54.0525 cm^3
• Polarizability: 20.384577 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.861

Product Information

• Purity: 95%