Cas no 101051-51-8 (Hexanoic acid,2-ethyl-2-(hydroxymethyl)-)
101051-51-8 structure
Product Name:Hexanoic acid,2-ethyl-2-(hydroxymethyl)-
CAS No:101051-51-8
MF:C9H18O3
MW:174.237423419952
CID:124446
PubChem ID:9793987
Update Time:2025-04-18
Hexanoic acid,2-ethyl-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethyl-2-(hydroxymethyl)-
- 2-BUTYL-2-ETHYL-3-HYDROXY PROPIONIC ACID
- 2-ethyl-2-(hydroxymethyl)hexanoic acid
- 2-ethyl-2-hydroxymethyl-hexanoic acid
- SCHEMBL1244843
- E83578
- Hexanoic acid, 2-ethyl-2-(hydroxymethyl)-
- 2-ethyl-2-hydroxymethylhexanoic acid
- DTXSID00430747
- AKOS006284911
- GOYVCPYTLIOSLQ-UHFFFAOYSA-N
- 101051-51-8
-
- Inchi： 1S/C9H18O3/c1-3-5-6-9(4-2,7-10)8(11)12/h10H,3-7H2,1-2H3,(H,11,12)
- InChI Key： GOYVCPYTLIOSLQ-UHFFFAOYSA-N
- SMILES： OCC(C(=O)O)(CC)CCCC
Computed Properties
- Exact Mass: 174.12600
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 145
- 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: 1.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 1.64990
Hexanoic acid,2-ethyl-2-(hydroxymethyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
101051-51-8 (Hexanoic acid,2-ethyl-2-(hydroxymethyl)-) Related Products
- 72604-79-6((R)-2-(Hydroxymethyl)butanoic acid)
- 5445-51-2(cyclobutane-1,1-dicarboxylic acid)
- 10097-02-6(2,2-Bis(hydroxymethyl)butanoic acid)
- 19889-37-3(2-Ethyl-2-methylbutanoic acid)
- 122-62-3(Bis(2-ethylhexyl) Sebacate)
- 141-04-8(Diisobutyl adipate)
- 534-59-8(Butylmalonic acid)
- 2445-78-5(2-methylbutyl 2-methylbutyrate)
- 1636-27-7(2,2-Dipropylmalonic Acid)
- 681-57-2(2,2-Dimethylglutaric acid)
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