Cas no 86096-12-0 (Pentanoic acid, 5-hydroxy-2,2,4,4-tetramethyl-3-oxo-, methyl ester)
86096-12-0 structure
Product Name:Pentanoic acid, 5-hydroxy-2,2,4,4-tetramethyl-3-oxo-, methyl ester
CAS No:86096-12-0
MF:C10H18O4
MW:202.247523784637
CID:1849971
PubChem ID:14723651
Update Time:2025-04-21
Pentanoic acid, 5-hydroxy-2,2,4,4-tetramethyl-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-hydroxy-2,2,4,4-tetramethyl-3-oxo-, methyl ester
- SCHEMBL10453967
- 86096-12-0
- Methyl 5-Hydroxy-2,2,4,4-tetramethyl-3-ketovalerate
- JPAHEUCDUVGZFG-UHFFFAOYSA-N
- methyl 5-hydroxy-2,2,4,4-tetramethyl-3-oxopentanoate
- DB-188102
-
- Inchi： 1S/C10H18O4/c1-9(2,6-11)7(12)10(3,4)8(13)14-5/h11H,6H2,1-5H3
- InChI Key： JPAHEUCDUVGZFG-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OC)(C)C)C(C)(C)CO
Computed Properties
- Exact Mass: 202.12050905g/mol
- Monoisotopic Mass: 202.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 241
- 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: 1.1
- Topological Polar Surface Area: 63.6?2
Pentanoic acid, 5-hydroxy-2,2,4,4-tetramethyl-3-oxo-, methyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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