Cas no 821015-81-0 (Pentanedioic acid, 6-bromohexyl decyl ester)
821015-81-0 structure
Product Name:Pentanedioic acid, 6-bromohexyl decyl ester
CAS No:821015-81-0
MF:C21H39BrO4
MW:435.435966730118
CID:698037
PubChem ID:71420054
Update Time:2025-04-19
Pentanedioic acid, 6-bromohexyl decyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 6-bromohexyl decyl ester
- 5-O-(6-bromohexyl) 1-O-decyl pentanedioate
- 6-Bromohexyl decyl pentanedioate
- 821015-81-0
- DTXSID30839264
-
- Inchi： 1S/C21H39BrO4/c1-2-3-4-5-6-7-9-12-18-25-20(23)15-14-16-21(24)26-19-13-10-8-11-17-22/h2-19H2,1H3
- InChI Key： RJTSEPHGJPKWPM-UHFFFAOYSA-N
- SMILES： BrCCCCCCOC(CCCC(=O)OCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 434.20317g/mol
- Monoisotopic Mass: 434.20317g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 21
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 52.6?2
Pentanedioic acid, 6-bromohexyl decyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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