Cas no 105859-93-6 (Propanoic acid,2,2-dimethyl-, tridecyl ester)
105859-93-6 structure
Product Name:Propanoic acid,2,2-dimethyl-, tridecyl ester
CAS No:105859-93-6
MF:C18H36O2
MW:284.477246284485
CID:126873
Update Time:2025-04-18
Propanoic acid,2,2-dimethyl-, tridecyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid,2,2-dimethyl-, tridecyl ester
- 2,2-Dimethylpropionic acid, tridecyl ester
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- Inchi： 1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-16H2,1-4H3
- InChI Key： DHWLRNPWPABRBG-UHFFFAOYSA-N
- SMILES： C(OCCCCCCCCCCCCC)(=O)C(C)(C)C
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 228
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Propanoic acid,2,2-dimethyl-, tridecyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
105859-93-6 (Propanoic acid,2,2-dimethyl-, tridecyl ester) Related Products
- 2349-07-7(Hexyl isobutyrate)
- 2349-13-5(Propanoic acid,2-methyl-, heptyl ester)
- 109-15-9(Propanoic acid,2-methyl-, octyl ester)
- 97-87-0(butyl isobutyrate)
- 34666-17-6(Ethyl 2,2-diethylbutyrate)
- 2445-72-9(Propanoic acid,2-methyl-, pentyl ester)
- 131141-70-3(Propanoic acid,2,2-dimethyl-, 2-ethylbutyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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