Cas no 5449-18-3 ( )
structure
Product Name:
CAS No:5449-18-3
MF:C12H22O3
MW:214.301284313202
CID:941551
PubChem ID:226131
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-cyclohexyl-3-hydroxy-3-methylpentanoic acid
- 2-Cyclohexyl-3-hydroxy-3-methyl-valeriansaeure
- 2-cyclohexyl-3-hydroxy-3-methyl-valeric acid
- AC1L5EJG
- AC1Q5RP8
- AG-J-32170
- AR-1E0948
- CTK5A1271
- NSC16274
- DS-013179
- DTXSID50280294
- NSC-16274
- 2-cyclohexyl-3-hydroxy-3-methyl-pentanoic acid
- 5449-18-3
-
-
- Inchi： 1S/C12H22O3/c1-3-12(2,15)10(11(13)14)9-7-5-4-6-8-9/h9-10,15H,3-8H2,1-2H3,(H,13,14)
- InChI Key： MUOCGNVVTYEQPL-UHFFFAOYSA-N
- SMILES： OC(C)(CC)C(C(=O)O)C1CCCCC1
Computed Properties
- Exact Mass: 214.15696
- Monoisotopic Mass: 214.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.07
- Boiling Point: 354.5°C at 760 mmHg
- Flash Point: 182.4°C
- Refractive Index: 1.495
- PSA: 57.53
- LogP: 2.42850
Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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