5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

• ChemBase ID: 290087
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: O=Cc1cccc2c1CCCC2
• Canonical SMILES: O=Cc1cccc2c1CCCC2
• InChI: InChI=1S/C11H12O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6,8H,1-2,4,7H2
• InChIKey: BQWSBOWPLAWXAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
• Synonyms: 5,6,7,8-Tetrahydronaphthalene-1-carbaldehyde; 5,6,7,8-Tetrahydro-naphthalene-1-carbaldehyde

Database IDs

• CAS Number: 41828-13-1
• MDL Number: MFCD15474839
• PubChem SID: 180675618
• PubChem CID: 179527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1380024
• LogD (pH = 7.4): 3.1380024
• Log P: 3.1380024
• Molar Refractivity: 50.1242 cm^3
• Polarizability: 18.713362 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%