Cas no 53663-29-9 (2-Methyldodec-2-enoic acid)
2-Methyldodec-2-enoic acid structure
Product Name:2-Methyldodec-2-enoic acid
CAS No:53663-29-9
MF:C13H24O2
MW:212.328464508057
CID:938913
Update Time:2023-08-02
2-Methyldodec-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- trans-2-methyl-2-dodecenoicacid
- 2-methyldodec-2-enoic acid
- (E)-2-Methyl-2-dodecenoic Acid
- (E)-2-methyldodec-2-enoic acid
- 2-methyl-dodec-2-enoic acid
- 2-Methyl-dodec-2-ensaeure
- 2-methyl-dodec-2t-enoic acid
- 2-Methyl-dodec-2t-ensaeure
- 2-Methyldodec-2-enoic acid
-
- Inchi: 1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)
- InChI Key: JVAKNQLSBYBCSZ-UHFFFAOYSA-N
- SMILES: OC(C(C)=CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 212.178
- Monoisotopic Mass: 212.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 37.3
Experimental Properties
- PSA: 37.30000
- LogP: 4.15800
2-Methyldodec-2-enoic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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