Cas no 90162-25-7 (1,3,5,7-Octanetetrol)
1,3,5,7-Octanetetrol structure
Product Name:1,3,5,7-Octanetetrol
CAS No:90162-25-7
MF:C8H18O4
MW:178.226123332977
CID:792882
PubChem ID:57067922
Update Time:2025-04-19
1,3,5,7-Octanetetrol Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5,7-Octanetetrol
- octane-1,3,5,7-tetrol
- SCHEMBL3856429
- 90162-25-7
- DTXSID00720211
-
- Inchi： 1S/C8H18O4/c1-6(10)4-8(12)5-7(11)2-3-9/h6-12H,2-5H2,1H3
- InChI Key： YKZCQEDGGUJOQC-UHFFFAOYSA-N
- SMILES： OC(CC(C)O)CC(CCO)O
Computed Properties
- Exact Mass: 178.12050905g/mol
- Monoisotopic Mass: 178.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 107
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 80.9?2
1,3,5,7-Octanetetrol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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