Cas no 5238-28-8 (Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester)
5238-28-8 structure
Product Name:Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester
CAS No:5238-28-8
MF:C13H26O2
MW:214.344344615936
CID:359769
PubChem ID:71365663
Update Time:2025-04-19
Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester
- 3-ethylpentan-3-yl 2-methylpentanoate
- 5238-28-8
- DTXSID60789061
-
- Inchi： 1S/C13H26O2/c1-6-10-11(5)12(14)15-13(7-2,8-3)9-4/h11H,6-10H2,1-5H3
- InChI Key： YXUYFRXOAFTEAX-UHFFFAOYSA-N
- SMILES： O(C(C(C)CCC)=O)C(CC)(CC)CC
Computed Properties
- Exact Mass: 214.19338
- Monoisotopic Mass: 214.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 175
- 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: 4.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
5238-28-8 (Pentanoic acid, 2-methyl-, 1,1-diethylpropyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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