Cas no 88869-08-3 (Decanoic acid, 2-(2-oxobutyl)-, methyl ester)
88869-08-3 structure
Product Name:Decanoic acid, 2-(2-oxobutyl)-, methyl ester
CAS No:88869-08-3
MF:C15H28O3
MW:256.381025314331
CID:620479
PubChem ID:13164741
Update Time:2025-04-19
Decanoic acid, 2-(2-oxobutyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 2-(2-oxobutyl)-, methyl ester
- methyl 2-(2-oxobutyl)decanoate
- 88869-08-3
- DTXSID80524097
-
- Inchi： 1S/C15H28O3/c1-4-6-7-8-9-10-11-13(15(17)18-3)12-14(16)5-2/h13H,4-12H2,1-3H3
- InChI Key： SRZKGMAWRNYODB-UHFFFAOYSA-N
- SMILES： O(C)C(C(CC(CC)=O)CCCCCCCC)=O
Computed Properties
- Exact Mass: 256.20384475g/mol
- Monoisotopic Mass: 256.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 236
- 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: 4.4
- Topological Polar Surface Area: 43.4?2
Decanoic acid, 2-(2-oxobutyl)-, methyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
88869-08-3 (Decanoic acid, 2-(2-oxobutyl)-, methyl ester) Related Products
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- 2177-77-7(Methyl 2-methylvalerate)
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- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 39265-95-7(Methyl 3-acetyl-4-oxopentanoate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 695-95-4(Methyl 3-oxocyclobutane-1-carboxylate)
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