Cas no 61621-60-1 (Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester)
61621-60-1 structure
Product Name:Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester
CAS No:61621-60-1
MF:C22H38O4
MW:366.534727573395
CID:472506
PubChem ID:71394052
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester
- ethyl 2,4-dioxo-6-tridecylcyclohexane-1-carboxylate
- 61621-60-1
- DTXSID50815782
-
- Inchi： 1S/C22H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)17-20(24)21(18)22(25)26-4-2/h18,21H,3-17H2,1-2H3
- InChI Key： XAEPRYPGLXNCIG-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(CC(CC1CCCCCCCCCCCCC)=O)=O)=O
Computed Properties
- Exact Mass: 366.27714
- Monoisotopic Mass: 366.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 430
- 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: 7.4
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
61621-60-1 (Cyclohexanecarboxylic acid, 2,4-dioxo-6-tridecyl-, ethyl ester) Related Products
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- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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