Cas no 38792-91-5 (4-(2-methylpentyl)cyclohexanecarboxylic acid)

4-(2-methylpentyl)cyclohexanecarboxylic acid structure
38792-91-5 structure
Product Name:4-(2-methylpentyl)cyclohexanecarboxylic acid
CAS No:38792-91-5
MF:C13H24O2
MW:212.328464508057
CID:1491726
PubChem ID:217397
Update Time:2025-04-21

4-(2-methylpentyl)cyclohexanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-methylpentyl)cyclohexanecarboxylic acid
    • 4-(2-methylpentyl)cyclohexane-1-carboxylic acid
    • BRN 2209573
    • DTXSID30959597
    • 38792-91-5
    • Cyclohexylcarboxylic acid, 4-(2-methylpentyl)-
    • Inchi: 1S/C13H24O2/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15/h10-12H,3-9H2,1-2H3,(H,14,15)
    • InChI Key: QRURFLWNAVNGOS-UHFFFAOYSA-N
    • SMILES: OC(C1CCC(CC(C)CCC)CC1)=O

Computed Properties

  • Exact Mass: 212.17772
  • Monoisotopic Mass: 212.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 193
  • 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: 37.3?2

Experimental Properties

  • PSA: 37.3
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