2,2,6,6-tetramethyl-4-methylideneheptane

• ChemBase ID: 10710
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: C(=C)(CC(C)(C)C)CC(C)(C)C
• Canonical SMILES: C=C(CC(C)(C)C)CC(C)(C)C
• InChI: InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3
• InChIKey: TUFZRYOCZCLYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-4-methylideneheptane
• IUPAC Traditional name: 2,2,6,6-tetramethyl-4-methylideneheptane
• Synonyms: 1,1-Dineopentylethylene

Database IDs

• CAS Number: 141-70-8
• MDL Number: MFCD00026329
• PubChem SID: 160974017
• PubChem CID: 67334

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6892123
• LogD (pH = 7.4): 4.6892123
• Log P: 4.6892123
• Molar Refractivity: 56.3827 cm^3
• Polarizability: 22.682592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 190.9°C
• Density: 0.759

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%