Cas no 827608-97-9 (2,3-Pentanediol, 4,4-dimethyl-, (2S,3R)-)
827608-97-9 structure
Product Name:2,3-Pentanediol, 4,4-dimethyl-, (2S,3R)-
CAS No:827608-97-9
MF:C7H16O2
MW:132.200742721558
CID:683131
PubChem ID:13427556
Update Time:2025-04-19
2,3-Pentanediol, 4,4-dimethyl-, (2S,3R)- Chemical and Physical Properties
Names and Identifiers
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- 2,3-Pentanediol, 4,4-dimethyl-, (2S,3R)-
- (2S,3R)-4,4-dimethylpentane-2,3-diol
- DTXSID90540501
- 827608-97-9
-
- Inchi： 1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6-/m0/s1
- InChI Key： FKPLZJCSXGKJNK-WDSKDSINSA-N
- SMILES： O[C@@H]([C@H](C)O)C(C)(C)C
Computed Properties
- Exact Mass: 132.115029749g/mol
- Monoisotopic Mass: 132.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 83.4
- 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: 1.1
- Topological Polar Surface Area: 40.5?2
2,3-Pentanediol, 4,4-dimethyl-, (2S,3R)- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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