Cas no 406486-91-7 (2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel-)
406486-91-7 structure
Product Name:2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel-
CAS No:406486-91-7
MF:C11H20O3
MW:200.274703979492
CID:326101
PubChem ID:15548334
Update Time:2025-04-19
2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel-
- 2H-Pyran-4-ol,2,6-diethyltetrahydro-,acetate,(2alpha,4alpha,6alpha)-(9CI)
- 406486-91-7
-
- Inchi： 1S/C11H20O3/c1-4-9-6-11(13-8(3)12)7-10(5-2)14-9/h9-11H,4-7H2,1-3H3/t9-,10+,11?
- InChI Key： UYOGIVPNUFSNSY-ZACCUICWSA-N
- SMILES： O1[C@@H](CC)CC(C[C@H]1CC)OC(C)=O
Computed Properties
- Exact Mass: 200.14100
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 2.28570
2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
406486-91-7 (2H-Pyran-4-ol,2,6-diethyltetrahydro-, 4-acetate, (2R,6S)-rel-) Related Products
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