Cas no 90252-84-9 (Hexanoic acid, 5,5-dimethyl-3-methylene-)
90252-84-9 structure
Product Name:Hexanoic acid, 5,5-dimethyl-3-methylene-
CAS No:90252-84-9
MF:C9H16O2
MW:156.222143173218
CID:791214
PubChem ID:13159261
Update Time:2025-04-19
Hexanoic acid, 5,5-dimethyl-3-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 5,5-dimethyl-3-methylene-
- 5,5-dimethyl-3-methylidenehexanoic acid
- 3-neopentyl-3-butenoic acid
- DTXSID50523279
- 90252-84-9
-
- Inchi： 1S/C9H16O2/c1-7(5-8(10)11)6-9(2,3)4/h1,5-6H2,2-4H3,(H,10,11)
- InChI Key： YUMWOKMZXRGIAG-UHFFFAOYSA-N
- SMILES： OC(CC(=C)CC(C)(C)C)=O
Computed Properties
- Exact Mass: 156.115029749g/mol
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.3?2
Hexanoic acid, 5,5-dimethyl-3-methylene- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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