Cas no 200866-61-1 ((R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester)

(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester structure
200866-61-1 structure
Product Name:(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
CAS No:200866-61-1
MF:C12H22O4
MW:230.300684452057
CID:66591
PubChem ID:10728170
Update Time:2025-04-18

(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester Chemical and Physical Properties

Names and Identifiers

    • (R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
    • (2R)-2-Butylbutanedioic acid 4-(1,1-dimethylethyl) ester
    • (2R)-2-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}hexanoic acid
    • (R)-(+)-2-N-BUTYLBUTANEDIOIC ACID 4-T-BUTYL ESTER
    • (2R)-2-(2-tert-butoxy-2-oxoethyl)hexanoic acid
    • 200866-61-1
    • (2R)-2-[2-(tert-butoxy)-2-oxoethyl]hexanoic acid
    • PRKYQKFRMIJBQV-SECBINFHSA-N
    • CS-0133932
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid
    • (r)-2-butyl-butanedioic acid 4-t-butyl ester
    • (R)-2-Butyl-succinic acid 4-tert-butyl ester
    • SCHEMBL1915651
    • (2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid
    • Inchi: 1S/C12H22O4/c1-5-6-7-9(11(14)15)8-10(13)16-12(2,3)4/h9H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
    • InChI Key: PRKYQKFRMIJBQV-VIFPVBQESA-N
    • SMILES: O(C(C[C@@H](C(=O)O)CCCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 230.15186
  • Monoisotopic Mass: 230.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.022
  • Boiling Point: 330 oC
  • Flash Point: 116 oC
  • Refractive Index: 1.453
  • PSA: 63.6

(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester Pricemore >>

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