Cas no 406179-70-2 (5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate)

5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate structure
406179-70-2 structure
Product Name:5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate
CAS No:406179-70-2
MF:C15H25O4
MW:269.356605291367
CID:2633262
PubChem ID:18714537
Update Time:2025-04-21

5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate Chemical and Physical Properties

Names and Identifiers

    • 5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-oxopentanoate
    • 406179-70-2
    • 5-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoate
    • CTMTYSVTTGVYAW-UHFFFAOYSA-M
    • DTXSID90595798
    • Inchi: 1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/p-1
    • InChI Key: CTMTYSVTTGVYAW-UHFFFAOYSA-M
    • SMILES: O(C(CCCC(=O)[O-])=O)C1CC(C)CCC1C(C)C

Computed Properties

  • Exact Mass: 269.17528427Da
  • Monoisotopic Mass: 269.17528427Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 306
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 66.4?2
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