4,4-dimethylpent-2-ene

• ChemBase ID: 111050
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: C/C=C/C(C)(C)C
• Canonical SMILES: C/C=C/C(C)(C)C
• InChI: InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3
• InChIKey: BIDIHFPLDRSAMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylpent-2-ene
• IUPAC Traditional name: 4,4-dimethylpent-2-ene
• Synonyms: cis-4,4-DIMETHYL-2-PENTENE; trans-4,4-DIMETHYL-2-PENTENE

Database IDs

• CAS Number: 690-08-4; 762-63-0
• EC Number: 211-714-9; 212-102-4
• PubChem SID: 162096217
• PubChem CID: 5326158

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9117138
• LogD (pH = 7.4): 2.9117138
• Log P: 2.9117138
• Molar Refractivity: 34.9475 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217550

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05218960

MP Biomedicals Rare Chemical collection