Cas no 69161-56-4 (3-(3-Methylbutoxy)-3-methyl-1-butanol)
69161-56-4 structure
Product Name:3-(3-Methylbutoxy)-3-methyl-1-butanol
CAS No:69161-56-4
MF:C10H22O2
MW:174.280483722687
CID:2677090
Update Time:2023-08-06
3-(3-Methylbutoxy)-3-methyl-1-butanol Chemical and Physical Properties
Names and Identifiers
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- 3-(3-Methylbutoxy)-3-methyl-1-butanol
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- Inchi： 1S/C10H22O2/c1-9(2)5-8-12-10(3,4)6-7-11/h9,11H,5-8H2,1-4H3
- InChI Key： DMFOAWZLEDNCJY-UHFFFAOYSA-N
- SMILES： O(CCC(C)C)C(C)(C)CCO
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 108
- Topological Polar Surface Area: 29.5
3-(3-Methylbutoxy)-3-methyl-1-butanol Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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