2,4-dimethylpent-2-ene

• ChemBase ID: 112338
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CC(C)C=C(C)C
• Canonical SMILES: CC(C=C(C)C)C
• InChI: InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3
• InChIKey: VVCFYASOGFVJFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpent-2-ene
• IUPAC Traditional name: 2-pentene, 2,4-dimethyl-
• Synonyms: 2,4-DIMETHYL-2-PENTENE

Database IDs

• CAS Number: 625-65-0
• EC Number: 210-905-4
• PubChem SID: 162097335
• PubChem CID: 12260

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.855028
• LogD (pH = 7.4): 2.855028
• Log P: 2.855028
• Molar Refractivity: 34.7544 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -127°C

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:10
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05223544

MP Biomedicals Rare Chemical collection