Cas no 85392-05-8 (5-Decenoic acid,1-butyl-5-carboxypentyl ester)
85392-05-8 structure
Product Name:5-Decenoic acid,1-butyl-5-carboxypentyl ester
CAS No:85392-05-8
MF:C20H36O4
MW:340.497447013855
CID:730741
PubChem ID:6441973
Update Time:2024-03-01
5-Decenoic acid,1-butyl-5-carboxypentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Decenoic acid,1-butyl-5-carboxypentyl ester
- 1-butyl-5-carboxypentyl 5-decenoate
- 6-dec-5-enoyloxydecanoic acid
- 5-Decenoic acid 1-butyl-5-carboxypentyl ester
- 6-[5(6)-DECENOYLOXY]DECANOIC ACID
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- Inchi： 1S/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h8-9,18H,3-7,10-17H2,1-2H3,(H,21,22)
- InChI Key： OKPRNPZBHHJXBQ-UHFFFAOYSA-N
- SMILES： C(OC(CCCC)CCCCC(O)=O)(=O)CCCC=CCCCC
Computed Properties
- Exact Mass: 340.26136
- Monoisotopic Mass: 340.26136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6
- XLogP3: 5.7
Experimental Properties
- Density: 0.97
- Boiling Point: 463°Cat760mmHg
- Flash Point: 150.6°C
- Refractive Index: 1.471
- FEMA: 4442 | 6-[5(6)-DECENOYLOXY]DECANOIC ACID
- pka: 4.73±0.10(Predicted)
5-Decenoic acid,1-butyl-5-carboxypentyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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