Cas no 59373-67-0 (4-Heptanone, 3-ethyl-3-hydroxy-5-methyl-)
59373-67-0 structure
Product Name:4-Heptanone, 3-ethyl-3-hydroxy-5-methyl-
CAS No:59373-67-0
MF:C10H20O2
MW:172.264603614807
CID:338870
PubChem ID:71442976
Update Time:2025-04-19
4-Heptanone, 3-ethyl-3-hydroxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptanone, 3-ethyl-3-hydroxy-5-methyl-
- 3-ethyl-3-hydroxy-5-methylheptan-4-one
- DTXSID30851825
- 59373-67-0
-
- Inchi： 1S/C10H20O2/c1-5-8(4)9(11)10(12,6-2)7-3/h8,12H,5-7H2,1-4H3
- InChI Key： SLOVISGKCUIHKX-UHFFFAOYSA-N
- SMILES： OC(CC)(CC)C(C(C)CC)=O
Computed Properties
- Exact Mass: 172.1464
- 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: 148
- 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: 2.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
4-Heptanone, 3-ethyl-3-hydroxy-5-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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