Cas no 61236-49-5 (Cyclohexanone, 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethyl-)
61236-49-5 structure
Product Name:Cyclohexanone, 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethyl-
CAS No:61236-49-5
MF:C14H22O3
MW:238.322684764862
CID:487477
PubChem ID:71397903
Update Time:2025-04-19
Cyclohexanone, 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethyl-
- 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethylcyclohexan-1-one
- 61236-49-5
- DTXSID70819363
-
- Inchi： 1S/C14H22O3/c1-9-4-6-13(2,8-11(9)16)14(3)7-5-10(15)12(14)17/h9-10,15H,4-8H2,1-3H3
- InChI Key： PQBRHYCUZSNZOK-UHFFFAOYSA-N
- SMILES： OC1CCC(C)(C1=O)C1(C)CC(C(C)CC1)=O
Computed Properties
- Exact Mass: 238.15696
- Monoisotopic Mass: 238.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Cyclohexanone, 5-(3-hydroxy-1-methyl-2-oxocyclopentyl)-2,5-dimethyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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