Cas no 723340-90-7 (2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-, (2R,4S)-)
723340-90-7 structure
Product Name:2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-, (2R,4S)-
CAS No:723340-90-7
MF:C9H18O2
MW:158.238023281097
CID:558561
Update Time:2024-03-05
2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-, (2R,4S)- Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-, (2R,4S)-
- 2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, (2R,4S)- (9CI)
- 2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, (2R,4S)-
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- Inchi： 1S/C9H18O2/c1-3-4-8-7-9(2,10)5-6-11-8/h8,10H,3-7H2,1-2H3/t8-,9+/m1/s1
- InChI Key： KMQJFQIMSPMKEX-BDAKNGLRSA-N
- SMILES： [C@H]1(CCC)OCC[C@](C)(O)C1
Computed Properties
- Exact Mass: 158.131
- Monoisotopic Mass: 158.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- 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
- Topological Polar Surface Area: 29.5A^2
Experimental Properties
- Density: 0.947±0.06 g/cm3(Predicted)
- Boiling Point: 240.3±8.0 °C(Predicted)
- pka: 14.69±0.40(Predicted)
2H-Pyran-4-ol,tetrahydro-4-methyl-2-propyl-, (2R,4S)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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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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