Cas no 654643-24-0 (4-Octanone, 2-methoxy-)
4-Octanone, 2-methoxy- structure
Product Name:4-Octanone, 2-methoxy-
CAS No:654643-24-0
MF:C9H18O2
MW:158.238023281097
CID:399079
PubChem ID:12079776
Update Time:2025-04-19
4-Octanone, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanone, 2-methoxy-
- 2-methoxyoctan-4-one
- DTXSID10477188
- 654643-24-0
-
- Inchi： 1S/C9H18O2/c1-4-5-6-9(10)7-8(2)11-3/h8H,4-7H2,1-3H3
- InChI Key： ZSFRMKSWMQUPJS-UHFFFAOYSA-N
- SMILES： O(C)C(C)CC(CCCC)=O
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 110
- 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: 1.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4-Octanone, 2-methoxy- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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