5-methylidenebicyclo[2.2.1]hept-2-ene

• ChemBase ID: 111837
• Molecular Formular: C8H10
• Molecular Mass: 106.165
• Monoisotopic Mass: 106.07825032
• SMILES: C=C1CC2CC1C=C2
• Canonical SMILES: C=C1CC2CC1C=C2
• InChI: InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2
• InChIKey: WTQBISBWKRKLIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylidenebicyclo[2.2.1]hept-2-ene
• IUPAC Traditional name: 5-methylidenebicyclo[2.2.1]hept-2-ene
• Synonyms: METHYLENENORBORNENE

Database IDs

• CAS Number: 694-91-7
• PubChem SID: 162097172
• PubChem CID: 260380

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9106072
• LogD (pH = 7.4): 1.9106072
• Log P: 1.9106072
• Molar Refractivity: 35.7427 cm^3
• Polarizability: 13.571364 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221239

MP Biomedicals Rare Chemical collection