Cas no 74449-58-4 (2-Pentanol, 2-hydroperoxy-4-methyl-)
74449-58-4 structure
Product Name:2-Pentanol, 2-hydroperoxy-4-methyl-
CAS No:74449-58-4
MF:C6H14O3
MW:134.173562526703
CID:541011
PubChem ID:71403979
Update Time:2025-04-19
2-Pentanol, 2-hydroperoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanol, 2-hydroperoxy-4-methyl-
- 2-hydroperoxy-4-methylpentan-2-ol
- DTXSID10824850
- 74449-58-4
-
- Inchi： 1S/C6H14O3/c1-5(2)4-6(3,7)9-8/h5,7-8H,4H2,1-3H3
- InChI Key： JNIBWWKZEAYFHK-UHFFFAOYSA-N
- SMILES： O(C(C)(CC(C)C)O)O
Computed Properties
- Exact Mass: 134.09432
- Monoisotopic Mass: 134.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 82.4
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
2-Pentanol, 2-hydroperoxy-4-methyl- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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