Cas no 62939-86-0 (Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester)
62939-86-0 structure
Product Name:Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
CAS No:62939-86-0
MF:C18H30O4
MW:310.428406238556
CID:428495
PubChem ID:71381742
Update Time:2025-04-19
Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
- methyl 2-oxo-1-(3-oxobutyl)cyclododecane-1-carboxylate
- DTXSID60804167
- 62939-86-0
-
- Inchi： 1S/C18H30O4/c1-15(19)12-14-18(17(21)22-2)13-10-8-6-4-3-5-7-9-11-16(18)20/h3-14H2,1-2H3
- InChI Key： KFXOMWCAGHUISJ-UHFFFAOYSA-N
- SMILES： O=C1CCCCCCCCCCC1(C(=O)OC)CCC(C)=O
Computed Properties
- Exact Mass: 310.2145
- Monoisotopic Mass: 310.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 389
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
62939-86-0 (Cyclododecanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 27132-23-6(Dimethyl diethylmalonate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 32249-35-7(Methyl 3-cyclopropyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 42558-54-3(Methyl 4-methyl-3-oxopentanoate)
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