Cas no 308818-10-2 (1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-)
![1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]- structure](https://ossimg.kuujia.com/scimg/309000/308818-10-2x500.png)
308818-10-2 structure
Product Name:1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
CAS No:308818-10-2
MF:C20H40O6S
MW:408.593006134033
CID:1444746
PubChem ID:9801593
Update Time:2025-04-20
1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]-
- 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]butane-1-sulfonic acid
- SCHEMBL14282575
- DTXSID30430937
- 308818-10-2
-
- Inchi： 1S/C20H40O6S/c1-3-4-5-6-7-8-9-10-11-14-20(2)25-17-19(18-26-20)24-15-12-13-16-27(21,22)23/h19H,3-18H2,1-2H3,(H,21,22,23)
- InChI Key： DLWKDTARITUBJA-UHFFFAOYSA-N
- SMILES： S(CCCCOC1COC(C)(CCCCCCCCCCC)OC1)(=O)(=O)O
Computed Properties
- Exact Mass: 408.2547
- Monoisotopic Mass: 408.25456017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 452
- 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: 5.2
- Topological Polar Surface Area: 90.4?2
Experimental Properties
- PSA: 82.06
1-Butanesulfonic acid, 4-[(2-methyl-2-undecyl-1,3-dioxan-5-yl)oxy]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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