butan-2-yl 2-methylprop-2-enoate

• ChemBase ID: 109071
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: CCC(C)OC(=O)C(=C)C
• Canonical SMILES: CCC(OC(=O)C(=C)C)C
• InChI: InChI=1S/C8H14O2/c1-5-7(4)10-8(9)6(2)3/h7H,2,5H2,1,3-4H3
• InChIKey: VXTQKJXIZHSXBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: sec-butyl 2-methylprop-2-enoate
• Synonyms: sec-BUTYL METHACRYLATE

Database IDs

• CAS Number: 2998-18-7
• PubChem SID: 162094783
• PubChem CID: 97732

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6036305
• LogD (pH = 7.4): 2.6036305
• Log P: 2.6036305
• Molar Refractivity: 40.109 cm^3
• Polarizability: 15.986376 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209731

MP Biomedicals Rare Chemical collection