2-ethyladamantan-2-yl 2-methylprop-2-enoate

• ChemBase ID: 88606
• Molecular Formular: C16H24O2
• Molecular Mass: 248.36056
• Monoisotopic Mass: 248.17763001
• SMILES: O(C1(C2CC3CC1CC(C3)C2)CC)C(=O)C(=C)C
• Canonical SMILES: CCC1(OC(=O)C(=C)C)C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
• InChIKey: DCTVCFJTKSQXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyladamantan-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-ethyladamantan-2-yl 2-methylprop-2-enoate
• Synonyms: 2-Ethyltricyclo[3.3.1.1~3,7~]dec-2-yl 2-methylprop-2-enoate; EADM; 2-Ethyladamant-2-yl methacrylate

Database IDs

• CAS Number: 209982-56-9
• PubChem SID: 162075528
• PubChem CID: 9813645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.286627
• LogD (pH = 7.4): 4.286627
• Log P: 4.286627
• Molar Refractivity: 71.03 cm^3
• Polarizability: 28.535233 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant