5-(oxan-2-yl)thiophene-2-carbaldehyde

• ChemBase ID: 307285
• Molecular Formular: C10H12O2S
• Molecular Mass: 196.26608
• Monoisotopic Mass: 196.05580062
• SMILES: s1c(ccc1C=O)C1OCCCC1
• Canonical SMILES: O=Cc1ccc(s1)C1CCCCO1
• InChI: InChI=1S/C10H12O2S/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9/h4-5,7,9H,1-3,6H2
• InChIKey: APFLKYMBWVBWSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(oxan-2-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(oxan-2-yl)thiophene-2-carbaldehyde
• Synonyms: 5-(tetrahydro-2H-pyran-2-yl)thiophene-2-carbaldehyde

Database IDs

• CAS Number: 915922-93-9
• MDL Number: MFCD08059923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.516979
• LogD (pH = 7.4): 2.516979
• Log P: 2.516979
• Molar Refractivity: 52.6953 cm^3
• Polarizability: 20.079561 Å^3
• Polar Surface Area: 26.3 Å^2