Cas no 112725-16-3 (2-(2-hexyldecoxymethyl)oxirane)
112725-16-3 structure
Product Name:2-(2-hexyldecoxymethyl)oxirane
CAS No:112725-16-3
MF:C19H38O2
MW:298.503826618195
CID:2609394
PubChem ID:15044319
Update Time:2025-04-21
2-(2-hexyldecoxymethyl)oxirane Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-hexyldecoxymethyl)oxirane
- 112725-16-3
- 2-{[(2-HEXYLDECYL)OXY]METHYL}OXIRANE
- Oxirane, [[(2-hexyldecyl)oxy]methyl]-
- DTXSID80567449
- SCHEMBL258034
-
- Inchi： 1S/C19H38O2/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)15-20-16-19-17-21-19/h18-19H,3-17H2,1-2H3
- InChI Key： ROTXOCNLESZVTD-UHFFFAOYSA-N
- SMILES： O(CC1CO1)CC(CCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 298.287180451Da
- Monoisotopic Mass: 298.287180451Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 218
- 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: 7.2
- Topological Polar Surface Area: 21.8?2
2-(2-hexyldecoxymethyl)oxirane Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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