(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate

• ChemBase ID: 287291
• Molecular Formular: C14H22O2
• Molecular Mass: 222.32328
• Monoisotopic Mass: 222.16197994
• SMILES: CC(=C)C(=O)O[C@H]1[C@]2(C(C)(C)[C@H](CC2)C1)C
• Canonical SMILES: CC(=C)C(=O)O[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
• InChI: InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
• InChIKey: IAXXETNIOYFMLW-GYSYKLTISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate
• Synonyms: (1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl methacrylate

Database IDs

• CAS Number: 7534-94-3
• MDL Number: MFCD00081070
• PubChem SID: 180672822
• PubChem CID: 904857

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8157601
• LogD (pH = 7.4): 3.8157601
• Log P: 3.8157601
• Molar Refractivity: 63.4706 cm^3
• Polarizability: 25.580217 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%