5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

• ChemBase ID: 101149
• Molecular Formular: C15H20O
• Molecular Mass: 216.3187
• Monoisotopic Mass: 216.15141526
• SMILES: c12c(C(CCC1(C)C)(C)C)ccc(c2)C=O
• Canonical SMILES: O=Cc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C15H20O/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9-10H,7-8H2,1-4H3
• InChIKey: RRAGXXOTEICTAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
• IUPAC Traditional name: 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
• Synonyms: 5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarbaldehyde

Database IDs

• CAS Number: 92654-79-0
• MDL Number: MFCD08700509
• PubChem SID: 162086835
• PubChem CID: 10420887

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3121347
• LogD (pH = 7.4): 4.3121347
• Log P: 4.3121347
• Molar Refractivity: 68.1716 cm^3
• Polarizability: 26.09285 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%