tert-Amylbenzene

• CAS: 2049-95-8
• Catalog Number: ACM2049958
• Category: Renewable & Alternative Energy
• Molecular Weight: 148.24
• Molecular Formula: C11H16
• Synonyms: 2-Methyl-2-phenylbutane
• IUPAC Name: 2-methylbutan-2-ylbenzene
• Canonical SMILES: CCC(C)(C)C1=CC=CC=C1
• InChI: InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
• InChI Key: QHTJSSMHBLGUHV-UHFFFAOYSA-N
• Boiling Point: 192.4 °C
• Solubility: 7.08e-05 M
• Complexity: 107
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 218-076-0
• Exact Mass: 148.1252
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 148.1252
• NSC Number: 4025
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 0 Ų
• UNII: ER8C1TON3X
• XLogP3: 4.7
• XLogP3-AA: 4.7