Cas no 117039-61-9 (4-Pentenoic acid,2-propyl-, (R)- (9CI))
117039-61-9 structure
Product Name:4-Pentenoic acid,2-propyl-, (R)- (9CI)
CAS No:117039-61-9
MF:C8H14O2
MW:142.195562839508
CID:190637
PubChem ID:21117962
Update Time:2025-04-19
4-Pentenoic acid,2-propyl-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid,2-propyl-, (R)- (9CI)
- 117039-61-9
- R(+)-4-En-valproic acid
- 4-Pentenoic acid, 2-propyl-, (R)-
- (R)-2-Propyl-4-pentenoic acid
- R-2-n-Propyl-4-pentenoic acid
- SCHEMBL9111371
-
- Inchi： 1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)/t7-/m0/s1
- InChI Key： UMYDNZXEHYSVFY-ZETCQYMHSA-N
- SMILES： OC([C@@H](CC=C)CCC)=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: 5
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 37.3?2
4-Pentenoic acid,2-propyl-, (R)- (9CI) Related Literature
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Francisco Alonso,Stephen G. Davies,Almut S. Elend,Michael A. Leech,Paul M. Roberts,Andrew D. Smith,James E. Thomson Org. Biomol. Chem. 2009 7 527
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2. Application of chemical P-450 model systems to studies on drug metabolism. Part X. Novel hydroxylactonization of γ,δ- and β,γ- unsaturated carboxylic acids with an iron porphyrin–iodosylbenzene systemMasakatsu Komuro,Tsunehiko Higuchi,Masaaki Hirobe J. Chem. Soc. Perkin Trans. 1 1996 2309
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Andrew W. Munro,Hazel M. Girvan,Kirsty J. McLean Nat. Prod. Rep. 2007 24 585
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