Cas no 5453-16-7 (Decanoic acid,4-(tetrahydro-2-furanyl)butyl ester)
5453-16-7 structure
Product Name:Decanoic acid,4-(tetrahydro-2-furanyl)butyl ester
Decanoic acid,4-(tetrahydro-2-furanyl)butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid,4-(tetrahydro-2-furanyl)butyl ester
- 4-(oxolan-2-yl)butyl decanoate
- 4-(tetrahydrofuran-2-yl)butyl decanoate
- AC1L5FBS
- AC1Q672T
- AR-1F7286
- CTK5A1478
- NSC18552
- NSC-18552
- 5453-16-7
- DTXSID00280769
-
- Inchi： 1S/C18H34O3/c1-2-3-4-5-6-7-8-14-18(19)21-15-10-9-12-17-13-11-16-20-17/h17H,2-16H2,1H3
- InChI Key： CAETXHDMWBEGGO-UHFFFAOYSA-N
- SMILES： O1CCCC1CCCCOC(CCCCCCCCC)=O
Computed Properties
- Exact Mass: 298.25092
- Monoisotopic Mass: 298.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 253
- 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: 5.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 5.01960
Decanoic acid,4-(tetrahydro-2-furanyl)butyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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