Cas no 137956-23-1 (Dodecanoic acid, triacontyl ester)
137956-23-1 structure
Product Name:Dodecanoic acid, triacontyl ester
CAS No:137956-23-1
MF:C42H84O2
MW:621.115174293518
CID:1248327
PubChem ID:54163801
Update Time:2025-04-20
Dodecanoic acid, triacontyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, triacontyl ester
- triacontyl dodecanoate
- DTXSID00709465
- 137956-23-1
-
- Inchi： 1S/C42H84O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-44-42(43)40-38-36-34-32-12-10-8-6-4-2/h3-41H2,1-2H3
- InChI Key： OQGFMFIJZAGOST-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 620.64752
- Monoisotopic Mass: 620.64713192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- Rotatable Bond Count: 40
- Complexity: 516
- 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: 20.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Dodecanoic acid, triacontyl ester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
137956-23-1 (Dodecanoic acid, triacontyl ester) Related Products
- 106-79-6(Dimethyl sebacate)
- 106-32-1(Ethyl n-Caprylate)
- 105-79-3(isobutyl caproate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-95-3(1,4-Dioxacycloheptadecane-5,17-dione)
- 109-43-3(dibutyl sebacate)
- 108-55-4(oxane-2,6-dione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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