Cas no 61716-15-2 (5-Undecanone, 10-hydroxy-10-methyl-8,9-bis(1-methylethyl)-)
61716-15-2 structure
Product Name:5-Undecanone, 10-hydroxy-10-methyl-8,9-bis(1-methylethyl)-
CAS No:61716-15-2
MF:C18H36O2
MW:284.477246284485
CID:468714
PubChem ID:71392962
Update Time:2025-04-19
5-Undecanone, 10-hydroxy-10-methyl-8,9-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Undecanone, 10-hydroxy-10-methyl-8,9-bis(1-methylethyl)-
- 10-hydroxy-10-methyl-8,9-di(propan-2-yl)undecan-5-one
- DTXSID50814750
- 61716-15-2
-
- Inchi： 1S/C18H36O2/c1-8-9-10-15(19)11-12-16(13(2)3)17(14(4)5)18(6,7)20/h13-14,16-17,20H,8-12H2,1-7H3
- InChI Key： DCVUBXGUPNNPNA-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(C(C)C)C(CCC(CCCC)=O)C(C)C
Computed Properties
- Exact Mass: 284.27168
- Monoisotopic Mass: 284.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 279
- 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: 4.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
5-Undecanone, 10-hydroxy-10-methyl-8,9-bis(1-methylethyl)- Related Literature
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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