Cas no 38289-31-5 (Cyclohexanecarboxylic acid, 4-heptyl-, trans-)

Cyclohexanecarboxylic acid, 4-heptyl-, trans- structure
38289-31-5 structure
Product Name:Cyclohexanecarboxylic acid, 4-heptyl-, trans-
CAS No:38289-31-5
MF:C14H26O2
MW:226.355044841766
CID:293382
PubChem ID:217398
Update Time:2025-04-19

Cyclohexanecarboxylic acid, 4-heptyl-, trans- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 4-heptyl-, trans-
    • 4-heptyl-trans-cyclohexanecarboxylic acid
    • trans-4-Heptylcyclohexane-1-carboxylicacid
    • trans-4-Heptylcyclohexanecarboxylic acid
    • trans-4-Heptylcyclohexylcarboxylicacid
    • FT-0712783
    • 38792-94-8
    • 4-n-Heptylcyclohexanecarboxylicacid
    • trans-4-Heptylcyclohexanecarboxylicacid
    • AKOS015964229
    • Cyclohexanecarboxylic acid, 4-heptyl-
    • FT-0708992
    • SCHEMBL3952844
    • [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl]propanoate
    • 38289-31-5
    • AKOS015918014
    • DTXSID10959212
    • 4-n-Heptylcyclohexane carboxylic acid
    • SCHEMBL8435960
    • 4-heptylcyclohexane-1-carboxylic acid
    • 4-heptylcyclohexanecarboxylic acid
    • Inchi： 1S/C14H26O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
    • InChI Key： JMAUQQIVJIRNDQ-UHFFFAOYSA-N
    • SMILES： OC(C1CCC(CCCCCCC)CC1)=O

Computed Properties

  • Exact Mass: 226.19338
  • Monoisotopic Mass: 226.193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 5.4

Experimental Properties

  • Density: 0.947
  • Boiling Point: 337.4°C at 760 mmHg
  • Flash Point: 163.9°C
  • Refractive Index: 1.467
  • PSA: 37.3

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