Cas no 834905-97-4 (3-Pentanone, 2-cyclohexyl-1-hydroxy-2-methyl-)
834905-97-4 structure
Product Name:3-Pentanone, 2-cyclohexyl-1-hydroxy-2-methyl-
CAS No:834905-97-4
MF:C12H22O2
MW:198.301884174347
CID:670140
PubChem ID:71415197
Update Time:2025-04-19
3-Pentanone, 2-cyclohexyl-1-hydroxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone, 2-cyclohexyl-1-hydroxy-2-methyl-
- 2-cyclohexyl-1-hydroxy-2-methylpentan-3-one
- DTXSID70834617
- 834905-97-4
-
- Inchi： 1S/C12H22O2/c1-3-11(14)12(2,9-13)10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
- InChI Key： MPDIROJRQQQAPL-UHFFFAOYSA-N
- SMILES： OCC(C(CC)=O)(C)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: 2.8
- Topological Polar Surface Area: 37.3?2
3-Pentanone, 2-cyclohexyl-1-hydroxy-2-methyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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