2-ethylbutyl 2-methylprop-2-enoate

• ChemBase ID: 106743
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: CCC(CC)COC(=O)C(=C)C
• Canonical SMILES: CCC(COC(=O)C(=C)C)CC
• InChI: InChI=1S/C10H18O2/c1-5-9(6-2)7-12-10(11)8(3)4/h9H,3,5-7H2,1-2,4H3
• InChIKey: CHNGPLVDGWOPMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylbutyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-ethylbutyl 2-methylprop-2-enoate
• Synonyms: 2-ETHYLBUTYL METHACRYLATE

Database IDs

• CAS Number: 5138-86-3
• PubChem SID: 162089091
• PubChem CID: 78817

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4411657
• LogD (pH = 7.4): 3.4411657
• Log P: 3.4411657
• Molar Refractivity: 49.3638 cm^3
• Polarizability: 19.670214 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201275

MP Biomedicals Rare Chemical collection