Cas no 61152-38-3 (1,3-Dioxane,2-butyl-2,4-dimethyl-)
61152-38-3 structure
Product Name:1,3-Dioxane,2-butyl-2,4-dimethyl-
CAS No:61152-38-3
MF:C10H20O2
MW:172.264603614807
CID:515247
PubChem ID:6454132
Update Time:2025-04-19
1,3-Dioxane,2-butyl-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane,2-butyl-2,4-dimethyl-
- 2-butyl-2,4-dimethyl-1,3-dioxane
-
- Inchi： 1S/C10H20O2/c1-4-5-7-10(3)11-8-6-9(2)12-10/h9H,4-8H2,1-3H3
- InChI Key： OJNPEUTUBVMNQK-UHFFFAOYSA-N
- SMILES： O1C(C)CCOC1(C)CCCC
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxane,2-butyl-2,4-dimethyl- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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