Cas no 90510-99-9 (Diethyl 4-oxododecanedioate)
Diethyl 4-oxododecanedioate structure
Product Name:Diethyl 4-oxododecanedioate
CAS No:90510-99-9
MF:C16H28O5
MW:300.390525817871
CID:2812358
PubChem ID:13158012
Update Time:2025-04-21
Diethyl 4-oxododecanedioate Chemical and Physical Properties
Names and Identifiers
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- 90510-99-9
- Diethyl 4-oxododecanedioate
- DTXSID90523157
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- Inchi： 1S/C16H28O5/c1-3-20-15(18)11-9-7-5-6-8-10-14(17)12-13-16(19)21-4-2/h3-13H2,1-2H3
- InChI Key： OTTLTGDWSRHUBC-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)OCC)CCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 300.19367399Da
- Monoisotopic Mass: 300.19367399Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 312
- 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
Diethyl 4-oxododecanedioate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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