Cas no 161974-03-4 (2-Hexanone, 3-ethoxy-)
2-Hexanone, 3-ethoxy- structure
Product Name:2-Hexanone, 3-ethoxy-
CAS No:161974-03-4
MF:C8H16O2
MW:144.211442947388
CID:109858
PubChem ID:45085746
Update Time:2025-04-18
2-Hexanone, 3-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 3-ethoxy-
- 3-ethoxyhexan-2-one
- 2-Hexanone, 3-ethoxy- (9CI)
- DTXSID30665843
- SCHEMBL14123404
- 161974-03-4
- AKOS017413647
-
- Inchi： 1S/C8H16O2/c1-4-6-8(7(3)9)10-5-2/h8H,4-6H2,1-3H3
- InChI Key： PMLQQFUMAMPEQP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)=O)CCC
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 26.3
2-Hexanone, 3-ethoxy- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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