Cas no 91156-43-3 (3-((2-Heptylundecyl)oxy)-1,2-propanediol)
91156-43-3 structure
Product Name:3-((2-Heptylundecyl)oxy)-1,2-propanediol
CAS No:91156-43-3
MF:C21H44O3
MW:344.572267532349
CID:2813482
PubChem ID:20449867
Update Time:2025-04-21
3-((2-Heptylundecyl)oxy)-1,2-propanediol Chemical and Physical Properties
Names and Identifiers
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- 3-[(2-HEPTYLUNDECYL)OXY]PROPANE-1,2-DIOL
- 91156-43-3
- SCHEMBL258069
- TUQZKGHXIHNKDI-UHFFFAOYSA-N
- 2-heptylundecyl glyceryl ether
- 3-((2-Heptylundecyl)oxy)-1,2-propanediol
- DTXSID90607320
- 3-[(2-Heptylundecyl)oxy]-1,2-propanediol
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- Inchi： 1S/C21H44O3/c1-3-5-7-9-10-12-14-16-20(15-13-11-8-6-4-2)18-24-19-21(23)17-22/h20-23H,3-19H2,1-2H3
- InChI Key： TUQZKGHXIHNKDI-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)CC(CCCCCCC)CCCCCCCCC
Computed Properties
- Exact Mass: 344.32904526Da
- Monoisotopic Mass: 344.32904526Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.3
- Topological Polar Surface Area: 49.7?2
3-((2-Heptylundecyl)oxy)-1,2-propanediol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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