Cas no 828300-32-9 (1,3-Benzenediol, 5-(4-ethyl-1-methylcyclohexyl)-)

1,3-Benzenediol, 5-(4-ethyl-1-methylcyclohexyl)- structure
828300-32-9 structure
Product Name:1,3-Benzenediol, 5-(4-ethyl-1-methylcyclohexyl)-
CAS No:828300-32-9
MF:C15H22O2
MW:234.333984851837
CID:681260
PubChem ID:71416920
Update Time:2025-04-19

1,3-Benzenediol, 5-(4-ethyl-1-methylcyclohexyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 5-(4-ethyl-1-methylcyclohexyl)-
    • 5-(4-ethyl-1-methylcyclohexyl)benzene-1,3-diol
    • 828300-32-9
    • DTXSID10836276
    • Inchi: 1S/C15H22O2/c1-3-11-4-6-15(2,7-5-11)12-8-13(16)10-14(17)9-12/h8-11,16-17H,3-7H2,1-2H3
    • InChI Key: PHIJQKOJGSMMDN-UHFFFAOYSA-N
    • SMILES: OC1C=C(C=C(C=1)C1(C)CCC(CC)CC1)O

Computed Properties

  • Exact Mass: 234.161979940g/mol
  • Monoisotopic Mass: 234.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 40.5?2
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