Cas no 651294-26-7 (1,3,5-Pentanetriol, 3-(2-hydroxyethyl)-)
651294-26-7 structure
Product Name:1,3,5-Pentanetriol, 3-(2-hydroxyethyl)-
CAS No:651294-26-7
MF:C7H16O4
MW:164.199542999268
CID:406743
PubChem ID:57156691
Update Time:2025-04-19
1,3,5-Pentanetriol, 3-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Pentanetriol, 3-(2-hydroxyethyl)-
- 3-(2-hydroxyethyl)pentane-1,3,5-triol
- DTXSID20720435
- SCHEMBL23045123
- 651294-26-7
-
- Inchi： 1S/C7H16O4/c8-4-1-7(11,2-5-9)3-6-10/h8-11H,1-6H2
- InChI Key： FAQWYKIIWYVDPQ-UHFFFAOYSA-N
- SMILES： OC(CCO)(CCO)CCO
Computed Properties
- Exact Mass: 164.10488
- Monoisotopic Mass: 164.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 77.4
- 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: -1.6
- Topological Polar Surface Area: 80.9?2
Experimental Properties
- PSA: 80.92
1,3,5-Pentanetriol, 3-(2-hydroxyethyl)- 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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
651294-26-7 (1,3,5-Pentanetriol, 3-(2-hydroxyethyl)-) Related Products
- 110-03-2(2,5-Dimethyl-2,5-hexanediol)
- 5001-18-3(1,3-Adamantanediol)
- 625-06-9(2,4-Dimethyl-2-pentanol)
- 107-41-5(Hexylene glycol)
- 78-69-3(3,7-dimethyloctan-3-ol)
- 597-96-6(3-Methyl-3-hexanol)
- 3761-94-2(1-Methylcycloheptanol)
- 13254-34-7(2,\u200b6-\u200bDimethyl-2-\u200bheptanol)
- 78-65-9(3,6-Dimethyl-3,6-octanediol)
- 1573-28-0(3,6-Dimethyl-3-heptanol)
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