Cas no 66952-02-1 (Propanedioic acid, (1-oxohexyl)-, diethyl ester)
66952-02-1 structure
Product Name:Propanedioic acid, (1-oxohexyl)-, diethyl ester
CAS No:66952-02-1
MF:C13H22O5
MW:258.310784816742
CID:395528
PubChem ID:11065103
Update Time:2025-04-19
Propanedioic acid, (1-oxohexyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1-oxohexyl)-, diethyl ester
- diethyl 2-hexanoylpropanedioate
- DTXSID20453958
- 2-hexanoyl-propanedioic acid diethyl ester
- diethyl 2-hexanoylmalonate
- 66952-02-1
- SCHEMBL6560551
-
- Inchi： 1S/C13H22O5/c1-4-7-8-9-10(14)11(12(15)17-5-2)13(16)18-6-3/h11H,4-9H2,1-3H3
- InChI Key： PVIDQNKZSHDOQA-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OCC)C(=O)OCC)CCCCC
Computed Properties
- Exact Mass: 258.14676
- Monoisotopic Mass: 258.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 267
- 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: 2.7
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Propanedioic acid, (1-oxohexyl)-, diethyl ester Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
66952-02-1 (Propanedioic acid, (1-oxohexyl)-, diethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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