2,5-dimethylhex-2-ene

• ChemBase ID: 109158
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: CC(C)CC=C(C)C
• Canonical SMILES: CC(CC=C(C)C)C
• InChI: InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3
• InChIKey: VFZIUYUUQFYZBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylhex-2-ene
• IUPAC Traditional name: 2,5-dimethyl-2-hexene
• Synonyms: 2,5-DIMETHYL-2-HEXENE

Database IDs

• PubChem SID: 162106277
• PubChem CID: 18853

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2995965
• LogD (pH = 7.4): 3.2995965
• Log P: 3.2995965
• Molar Refractivity: 39.3554 cm^3
• Polarizability: 15.295921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210064

MP Biomedicals Rare Chemical collection