methyl 2-methoxy-2-(thiophen-2-yl)acetate

• ChemBase ID: 240842
• Molecular Formular: C8H10O3S
• Molecular Mass: 186.2282
• Monoisotopic Mass: 186.03506518
• SMILES: C(c1sccc1)(C(=O)OC)OC
• Canonical SMILES: COC(c1cccs1)C(=O)OC
• InChI: InChI=1S/C8H10O3S/c1-10-7(8(9)11-2)6-4-3-5-12-6/h3-5,7H,1-2H3
• InChIKey: SDNFHAXSMACVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methoxy-2-(thiophen-2-yl)acetate
• IUPAC Traditional name: methyl 2-methoxy-2-(thiophen-2-yl)acetate
• Synonyms: methyl 2-methoxy-2-(thiophen-2-yl)acetate

Database IDs

• MDL Number: MFCD22421786
• PubChem SID: 164296752
• PubChem CID: 12957106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5977376
• LogD (pH = 7.4): 1.5977376
• Log P: 1.5977376
• Molar Refractivity: 45.114 cm^3
• Polarizability: 17.870686 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.285

Product Information

• Purity: 95%