Cas no 145494-21-9 (2-Hexyl-1-phenylbutane-1,3-dione)
145494-21-9 structure
Product Name:2-Hexyl-1-phenylbutane-1,3-dione
CAS No:145494-21-9
MF:C16H22O2
MW:246.344685077667
CID:2777959
PubChem ID:22448157
Update Time:2025-04-21
2-Hexyl-1-phenylbutane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-HEXYL-1-PHENYLBUTANE-1,3-DIONE
- SCHEMBL5271379
- DTXSID00625676
- 145494-21-9
- 2-Hexyl-1-phenylbutane-1,3-dione
-
- Inchi： 1S/C16H22O2/c1-3-4-5-9-12-15(13(2)17)16(18)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12H2,1-2H3
- InChI Key： KJZUBONLZFWEQQ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C(C)=O)CCCCCC
Computed Properties
- Exact Mass: 246.161979940Da
- Monoisotopic Mass: 246.161979940Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 264
- 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: 4.6
- Topological Polar Surface Area: 34.1?2
2-Hexyl-1-phenylbutane-1,3-dione Related Literature
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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