[2,2-dimethyl-1-(thiophen-2-yl)cyclopropyl]methanol

• ChemBase ID: 307065
• Molecular Formular: C10H14OS
• Molecular Mass: 182.28256
• Monoisotopic Mass: 182.07653607
• SMILES: C1(C(C1)(C)C)(c1sccc1)CO
• Canonical SMILES: OCC1(CC1(C)C)c1cccs1
• InChI: InChI=1S/C10H14OS/c1-9(2)6-10(9,7-11)8-4-3-5-12-8/h3-5,11H,6-7H2,1-2H3
• InChIKey: RVTAADFYFHVQGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-1-(thiophen-2-yl)cyclopropyl]methanol
• IUPAC Traditional name: [2,2-dimethyl-1-(thiophen-2-yl)cyclopropyl]methanol
• Synonyms: [2,2-dimethyl-1-(2-thienyl)cyclopropyl]methanol

Database IDs

• CAS Number: 915924-18-4
• MDL Number: MFCD08691518

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2737527
• LogD (pH = 7.4): 2.2737527
• Log P: 2.2737527
• Molar Refractivity: 50.61 cm^3
• Polarizability: 19.835773 Å^3
• Polar Surface Area: 20.23 Å^2