2,6-bis(propan-2-yl)naphthalene

• ChemBase ID: 127138
• Molecular Formular: C16H20
• Molecular Mass: 212.33
• Monoisotopic Mass: 212.15650064
• SMILES: CC(C)c1cc2c(cc1)cc(cc2)C(C)C
• Canonical SMILES: CC(c1ccc2c(c1)ccc(c2)C(C)C)C
• InChI: InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
• InChIKey: GWLLTEXUIOFAFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(propan-2-yl)naphthalene
• IUPAC Traditional name: DIPN
• Synonyms: 2,6-DIPN; DIPN; 2,6-Diisopropylnaphthalene; 2,6-二异丙基萘

Database IDs

• CAS Number: 24157-81-1
• EC Number: 246-045-1
• MDL Number: MFCD00021648
• PubChem SID: 162221460
• PubChem CID: 32241
• Chemspider ID: 29899
• Wikipedia Title: DIPN

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4527407
• LogD (pH = 7.4): 5.4527407
• Log P: 5.4527407
• Molar Refractivity: 70.8898 cm^3
• Polarizability: 28.948872 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 67-71°C
• Boiling Point: 279-280°C

Safety Information

• RTECS: QJ1536000
• TSCA Listed: 是

Product Information

• Purity: 99%