Cas no 393530-62-6 (2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propen-1-yl-,(aR,2R,6R)-)
393530-62-6 structure
Product Name:2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propen-1-yl-,(aR,2R,6R)-
CAS No:393530-62-6
MF:C13H22O2
MW:210.312584400177
CID:299633
Update Time:2022-07-26
2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propen-1-yl-,(aR,2R,6R)- Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propen-1-yl-,(aR,2R,6R)-
- 2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propenyl-,(aR,2R,6R)- (9CI)
- 2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-alpha,5-dimethyl-alpha-(1Z)-1-propenyl-,(alphaR,2R,6R)-(9CI)
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- Inchi： 1S/C13H22O2/c1-5-9-13(4,14)12-8-7-10(3)11(6-2)15-12/h5,7,9,11-12,14H,6,8H2,1-4H3/b9-5-/t11-,12-,13-/m1/s1
- InChI Key： BCMQOESVVWWLMX-JUMGBBNFSA-N
- SMILES： [C@@H]1([C@@](C)(/C=C\C)O)O[C@H](CC)C(C)=CC1
Computed Properties
- Exact Mass: 210.162
- Monoisotopic Mass: 210.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5A^2
2H-Pyran-2-methanol,6-ethyl-3,6-dihydro-a,5-dimethyl-a-(1Z)-1-propen-1-yl-,(aR,2R,6R)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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