Cas no 834905-89-4 (2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl-)
834905-89-4 structure
Product Name:2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl-
CAS No:834905-89-4
MF:C12H22O2
MW:198.301884174347
CID:670147
PubChem ID:71415200
Update Time:2025-04-19
2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl-
- 3-cyclohexyl-1-hydroxy-3-methylpentan-2-one
- 834905-89-4
- DTXSID00834620
-
- Inchi： 1S/C12H22O2/c1-3-12(2,11(14)9-13)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
- InChI Key： POPAHSYTBWEDBZ-UHFFFAOYSA-N
- SMILES： O=C(CO)C(C)(CC)C1CCCCC1
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
2-Pentanone, 3-cyclohexyl-1-hydroxy-3-methyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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