1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane

• ChemBase ID: 193372
• Molecular Formular: C11H18
• Molecular Mass: 150.26062
• Monoisotopic Mass: 150.14085058
• SMILES: C12(C(C(CC1=C)CC2)(C)C)C
• Canonical SMILES: C=C1CC2C(C1(C)CC2)(C)C
• InChI: InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3
• InChIKey: ZASFWGOMAIPHLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
• IUPAC Traditional name: 1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane

Database IDs

• PubChem SID: 164249282
• PubChem CID: 123425

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1596422
• LogD (pH = 7.4): 3.1596422
• Log P: 3.1596422
• Molar Refractivity: 48.1249 cm^3
• Polarizability: 19.342081 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds