Cas no 128087-96-7 (Methyl dihydrojasmonate)
Methyl dihydrojasmonate structure
Product Name:Methyl dihydrojasmonate
CAS No:128087-96-7
MF:C13H22O3
MW:226.311984539032
CID:2354998
Update Time:2023-08-06
Methyl dihydrojasmonate Chemical and Physical Properties
Names and Identifiers
-
- Methyl dihydrojasmonate
- methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
- Hedione
- Kharismal
- Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
- Methyl (3-oxo-2-pentylcyclopentyl)acetate
- FEMA No. 3408
- Methyl 3-oxo-2-pentylcyclopentaneacetate
- DIHYDROJASMONIC ACID, METHYL ESTER
- Methyl (2-pentyl-3-oxocyclopentyl)acetate
- Methyl 3-oxo-2-pentyl-cyclopentaneacetate
- KVWWIYGFBYDJQC-UHFFFAOYSA-N
- AK114175
- DSSTox_CID_9325
- DSSTox_RID_78763
- DSSTox_GSID_29325
- 2-Amylcyclopentan-
-
- Inchi： 1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
- InChI Key： KVWWIYGFBYDJQC-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC(=O)OC)C1CCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 248
- XLogP3: 2.7
- Topological Polar Surface Area: 43.4
Methyl dihydrojasmonate Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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