Cas no 2497333-07-8 (Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-)

Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl- structure
2497333-07-8 structure
Product Name:Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-
CAS No:2497333-07-8
MF:C15H24O
MW:220.350464820862
CID:5109157
PubChem ID:20340528
Update Time:2024-03-01

Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-
    • 3-(4-tert-amylphenyl)-2-methyl propanol
    • Inchi: 1S/C15H24O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6-9,12,16H,5,10-11H2,1-4H3
    • InChI Key: YGTZHUMRZRLTKX-UHFFFAOYSA-N
    • SMILES: C(C1C=CC(C(C)(C)CC)=CC=1)C(C)CO

Computed Properties

  • Exact Mass: 220.182715385g/mol
  • Monoisotopic Mass: 220.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 20.2?2
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