Cas no 196791-41-0 (Propanoic acid, 2-methyl-, hexenyl ester)
196791-41-0 structure
Product Name:Propanoic acid, 2-methyl-, hexenyl ester
CAS No:196791-41-0
MF:C10H18O2
MW:170.248723506927
CID:1388326
PubChem ID:54449870
Update Time:2025-04-20
Propanoic acid, 2-methyl-, hexenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, hexenyl ester
- hex-1-enyl 2-methylpropanoate
- 1-hexenyl isobutyrate
- HEX-1-EN-1-YL 2-METHYLPROPANOATE
- 196791-41-0
- DTXSID60711423
-
- Inchi： 1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h7-9H,4-6H2,1-3H3
- InChI Key： WUEJOVNIQISNHV-UHFFFAOYSA-N
- SMILES： O(C=CCCCC)C(C(C)C)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 148
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2-methyl-, hexenyl ester Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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