Cas no 90252-88-3 (Hexanoic acid, 5-methyl-3-methylene-)
90252-88-3 structure
Product Name:Hexanoic acid, 5-methyl-3-methylene-
CAS No:90252-88-3
MF:C8H14O2
MW:142.195562839508
CID:791210
PubChem ID:13159268
Update Time:2025-04-19
Hexanoic acid, 5-methyl-3-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 5-methyl-3-methylene-
- 5-methyl-3-methylidenehexanoic acid
- AKOS006383946
- DTXSID80523282
- 90252-88-3
-
- Inchi： 1S/C8H14O2/c1-6(2)4-7(3)5-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)
- InChI Key： YSKNMQIWBNRHTC-UHFFFAOYSA-N
- SMILES： OC(CC(=C)CC(C)C)=O
Computed Properties
- Exact Mass: 142.099379685g/mol
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 2.4
- Topological Polar Surface Area: 37.3?2
Hexanoic acid, 5-methyl-3-methylene- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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