Cas no 42599-01-9 (Dibutyl 3-oxopentanedioate)

Dibutyl 3-oxopentanedioate structure
Dibutyl 3-oxopentanedioate structure
Product Name:Dibutyl 3-oxopentanedioate
CAS No:42599-01-9
MF:C13H22O5
MW:258.310784816742
CID:2637962
PubChem ID:12307592
Update Time:2025-04-21

Dibutyl 3-oxopentanedioate Chemical and Physical Properties

Names and Identifiers

    • dibutyl 3-oxopentanedioate
    • DTXSID60486962
    • SCHEMBL1010990
    • AGN-PC-0NIHHB
    • 42599-01-9
    • Dibutyl 3-oxopentanedioate
    • Inchi: 1S/C13H22O5/c1-3-5-7-17-12(15)9-11(14)10-13(16)18-8-6-4-2/h3-10H2,1-2H3
    • InChI Key: SAPPVGOXJLSDHG-UHFFFAOYSA-N
    • SMILES: O(C(CC(CC(=O)OCCCC)=O)=O)CCCC

Computed Properties

  • Exact Mass: 258.14672380Da
  • Monoisotopic Mass: 258.14672380Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 12
  • Complexity: 247
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 69.7?2
Recommended suppliers
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.