Cas no 61141-74-0 (2-Hexanone, 4-hydroxy-5-methyl-3-propyl-)
61141-74-0 structure
Product Name:2-Hexanone, 4-hydroxy-5-methyl-3-propyl-
CAS No:61141-74-0
MF:C10H20O2
MW:172.264603614807
CID:954025
PubChem ID:537398
Update Time:2025-04-19
2-Hexanone, 4-hydroxy-5-methyl-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 4-hydroxy-5-methyl-3-propyl-
- MCHKKXMOZSKZLJ-UHFFFAOYSA-N
- 4-Hydroxy-5-methyl-3-propyl-2-hexanone #
- 61141-74-0
- DB-323960
-
- Inchi： 1S/C10H20O2/c1-5-6-9(8(4)11)10(12)7(2)3/h7,9-10,12H,5-6H2,1-4H3
- InChI Key： MCHKKXMOZSKZLJ-UHFFFAOYSA-N
- SMILES： OC(C(C)C)C(C(C)=O)CCC
Computed Properties
- Exact Mass: 172.146329876g/mol
- Monoisotopic Mass: 172.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 141
- 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: 2.1
- Topological Polar Surface Area: 37.3?2
2-Hexanone, 4-hydroxy-5-methyl-3-propyl- Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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