Cas no 167380-47-4 (2,13-dimethyltetradecanedioic Acid)
167380-47-4 structure
Product Name:2,13-dimethyltetradecanedioic Acid
CAS No:167380-47-4
MF:C16H30O4
MW:286.407005786896
CID:1348161
PubChem ID:11185287
Update Time:2025-04-20
2,13-dimethyltetradecanedioic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2,13-dimethyltetradecanedioic Acid
- AQ-917/42754060
- 2,13-dimethyl-tetradecanedioic acid
- Tetradecanedioic acid, 2,13-dimethyl-
- 2,13-Dimethyl-tetradecandisaeure
- CTK0A8697
- AG-B-83618
- 2,13-dimethyltetradecanedionic acid
- AQ-917/42754060; 2,13-dimethyl-tetradecanedioic acid; Tetradecanedioic acid, 2,13-dimethyl-; 2,13-Dimethyl-tetradecandisaeure; CTK0A8697; AG-B-83618; 2,13-dimethyltetradecanedionic acid;
- 167380-47-4
- DTXSID50458092
-
- Inchi： 1S/C16H30O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h13-14H,3-12H2,1-2H3,(H,17,18)(H,19,20)
- InChI Key： YDLYHCMMGSPGLH-UHFFFAOYSA-N
- SMILES： OC(C(C)CCCCCCCCCCC(C(=O)O)C)=O
Computed Properties
- Exact Mass: 286.2145
- Monoisotopic Mass: 286.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2,13-dimethyltetradecanedioic Acid Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
167380-47-4 (2,13-dimethyltetradecanedioic Acid) Related Products
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- 124-83-4((1R,3S)-Camphoric Acid)
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- 99-66-1(Valproic acid)
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