Cas no 61716-14-1 (2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)-)
61716-14-1 structure
Product Name:2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)-
CAS No:61716-14-1
MF:C15H30O2
MW:242.397505283356
CID:468715
PubChem ID:71392963
Update Time:2025-04-19
2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)-
- 7-hydroxy-7-methyl-5,6-di(propan-2-yl)octan-2-one
- 61716-14-1
- DTXSID10814751
-
- Inchi： 1S/C15H30O2/c1-10(2)13(9-8-12(5)16)14(11(3)4)15(6,7)17/h10-11,13-14,17H,8-9H2,1-7H3
- InChI Key： NKFBSNWCUBCCOM-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(C(C)C)C(CCC(C)=O)C(C)C
Computed Properties
- Exact Mass: 242.2247
- Monoisotopic Mass: 242.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
61716-14-1 (2-Octanone, 7-hydroxy-7-methyl-5,6-bis(1-methylethyl)-) Related Products
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