Cas no 58587-19-2 (2H-Pyran, 2-(hexadecyloxy)tetrahydro-)
58587-19-2 structure
Product Name:2H-Pyran, 2-(hexadecyloxy)tetrahydro-
CAS No:58587-19-2
MF:C21H42O2
MW:326.556987285614
CID:341568
PubChem ID:11727146
Update Time:2025-04-19
2H-Pyran, 2-(hexadecyloxy)tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran, 2-(hexadecyloxy)tetrahydro-
- 2-hexadecoxyoxane
- DTXSID20471197
- SCHEMBL17265729
- 58587-19-2
-
- Inchi： 1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h21H,2-20H2,1H3
- InChI Key： FXXFQPGFNVNCPA-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCCCCCCCC)C1CCCCO1
Computed Properties
- Exact Mass: 326.31866
- Monoisotopic Mass: 326.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.7
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
2H-Pyran, 2-(hexadecyloxy)tetrahydro- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
58587-19-2 (2H-Pyran, 2-(hexadecyloxy)tetrahydro-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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