Cas no 824431-37-0 (Octanoic acid, 2-(4-pentenyl)-)
824431-37-0 structure
Product Name:Octanoic acid, 2-(4-pentenyl)-
CAS No:824431-37-0
MF:C13H24O2
MW:212.328464508057
CID:690791
PubChem ID:11275888
Update Time:2025-04-19
Octanoic acid, 2-(4-pentenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2-(4-pentenyl)-
- 2-pent-4-enyloctanoic acid
- 824431-37-0
- SCHEMBL23834282
- DTXSID30460895
-
- Inchi： 1S/C13H24O2/c1-3-5-7-9-11-12(13(14)15)10-8-6-4-2/h4,12H,2-3,5-11H2,1H3,(H,14,15)
- InChI Key： IEFRUBGSQWXGKS-UHFFFAOYSA-N
- SMILES： OC(C(CCCC=C)CCCCCC)=O
Computed Properties
- Exact Mass: 212.177630004g/mol
- Monoisotopic Mass: 212.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 175
- 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: 4.3
- Topological Polar Surface Area: 37.3?2
Octanoic acid, 2-(4-pentenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
824431-37-0 (Octanoic acid, 2-(4-pentenyl)-) Related Products
- 58203-68-2(2,2-dimethylhex-5-enoic acid)
- 1575-74-2(2-Methyl-4-pentenoic Acid)
- 16386-93-9(2,2-dimethylpent-4-enoic acid)
- 1575-72-0((+/-)-2-Propyl-4-pentenoic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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