Cas no 220179-93-1 (Tert-Butyl 4-hydroxycyclohexanecarboxylate)

Tert-Butyl 4-hydroxycyclohexanecarboxylate structure
220179-93-1 structure
Product Name:Tert-Butyl 4-hydroxycyclohexanecarboxylate
CAS No:220179-93-1
MF:C11H20O3
MW:200.274703979492
CID:2149629
Update Time:2023-08-05

Tert-Butyl 4-hydroxycyclohexanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 4-hydroxycyclohexanecarboxylate
    • cis-tert-Butyl 4-hydroxycyclohexane-1-carboxylate
    • tert-Butyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
    • trans-4-Hydroxy-cyclohexane-carboxylic acid tert-butyl ester
    • tert-butyl trans-4-hydroxycyclohexanecarboxylate
    • MVSANBPTBLEQMT-DTORHVGOSA-N
    • MVSANBPTBLEQMT-UHFFFAOYSA-N
    • MVSANBPTBLEQMT-KYZUINATSA-N
    • trans-tert-Butyl 4-hydroxycyclohexanecarboxy
    • Tert-Butyl 4-hydroxycyclohexanecarboxylate
    • Inchi: 1S/C11H20O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9,12H,4-7H2,1-3H3
    • InChI Key: MVSANBPTBLEQMT-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(C1CCC(CC1)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 197
  • Topological Polar Surface Area: 46.5
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