Cas no 594859-70-8 (1,3,5-pentanetriol, 2,2,4,4-tetramethyl-)
594859-70-8 structure
Product Name:1,3,5-pentanetriol, 2,2,4,4-tetramethyl-
CAS No:594859-70-8
MF:C9H20O3
MW:176.253303527832
CID:1011725
PubChem ID:21940172
Update Time:2025-04-20
1,3,5-pentanetriol, 2,2,4,4-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-pentanetriol, 2,2,4,4-tetramethyl-
- 2,2,4,4-tetramethylpentane-1,3,5-triol
- SCHEMBL5858948
- DTXSID70620436
- 594859-70-8
-
- Inchi： 1S/C9H20O3/c1-8(2,5-10)7(12)9(3,4)6-11/h7,10-12H,5-6H2,1-4H3
- InChI Key： PKSGCTPALVCQDG-UHFFFAOYSA-N
- SMILES： OC(C(C)(C)CO)C(C)(C)CO
Computed Properties
- Exact Mass: 176.14124450g/mol
- Monoisotopic Mass: 176.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 125
- 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: 0.6
- Topological Polar Surface Area: 60.7?2
1,3,5-pentanetriol, 2,2,4,4-tetramethyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
594859-70-8 (1,3,5-pentanetriol, 2,2,4,4-tetramethyl-) Related Products
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