5,5-dimethylhex-1-ene

• ChemBase ID: 248958
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: C(=C)CCC(C)(C)C
• Canonical SMILES: C=CCCC(C)(C)C
• InChI: InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3
• InChIKey: KZJIOVQKSAOPOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethylhex-1-ene
• IUPAC Traditional name: 1-hexene, 5,5-dimethyl-
• Synonyms: 5,5-dimethylhex-1-ene

Database IDs

• PubChem SID: 164304868
• PubChem CID: 23502

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.414216
• LogD (pH = 7.4): 3.414216
• Log P: 3.414216
• Molar Refractivity: 38.476 cm^3
• Polarizability: 15.295921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.182

Product Information

• Purity: 95%