Cas no 62885-26-1 (2,4-Hexanediol,[R-(R*,R*)]- (9CI))
![2,4-Hexanediol,[R-(R*,R*)]- (9CI) structure](https://ossimg.kuujia.com/scimg/63000/62885-26-1x500.png)
62885-26-1 structure
Product Name:2,4-Hexanediol,[R-(R*,R*)]- (9CI)
CAS No:62885-26-1
MF:C6H14O2
MW:118.174162387848
CID:502833
PubChem ID:7015163
Update Time:2025-04-19
2,4-Hexanediol,[R-(R*,R*)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexanediol,[R-(R*,R*)]- (9CI)
- (2R,4R)-(-)-2,4-HEXANEDIOL
- (2R,4R)-2,4-HEXANEDIOL
- (2RS,4RS)-hexane-2,4-diol
- AG-G-31826
- CTK5B6481
- 2,4-Hexanediol,[r-(r*,r*)]-(9ci)
- SCHEMBL8426346
- (2R,4R)-Hexane-2,4-diol
- AKOS006295442
- DTXSID70426718
- 62885-26-1
-
- Inchi： 1S/C6H14O2/c1-3-6(8)4-5(2)7/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key： TXGJTWACJNYNOJ-PHDIDXHHSA-N
- SMILES： O[C@H](CC)C[C@@H](C)O
Computed Properties
- Exact Mass: 118.099379685g/mol
- Monoisotopic Mass: 118.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 54.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46000
- LogP: 0.52820
2,4-Hexanediol,[R-(R*,R*)]- (9CI) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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