Cas no 118051-64-2 (2-Penten-2-ol,4,4-dimethyl-)
2-Penten-2-ol,4,4-dimethyl- structure
Product Name:2-Penten-2-ol,4,4-dimethyl-
CAS No:118051-64-2
MF:C7H14O
MW:114.185462474823
CID:131731
PubChem ID:73820535
Update Time:2025-04-19
2-Penten-2-ol,4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Penten-2-ol,4,4-dimethyl-
- 2-Penten-2-ol, 4,4-dimethyl- (9CI)
- 118051-64-2
- 2-Penten-2-ol,4,4-dimethyl-(9ci)
-
- Inchi： 1S/C7H14O/c1-6(8)5-7(2,3)4/h5,8H,1-4H3
- InChI Key： XNPOWPOKSOUHCZ-UHFFFAOYSA-N
- SMILES： OC(C)=CC(C)(C)C
Computed Properties
- Exact Mass: 114.10452
- Monoisotopic Mass: 114.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 95.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2-Penten-2-ol,4,4-dimethyl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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