Cas no 62244-27-3 (Tetradecanoic acid, 2-methyl-, 2,3-dihydroxypropyl ester)
62244-27-3 structure
Product Name:Tetradecanoic acid, 2-methyl-, 2,3-dihydroxypropyl ester
CAS No:62244-27-3
MF:C18H36O4
MW:316.476046562195
CID:452740
PubChem ID:71388379
Update Time:2025-04-19
Tetradecanoic acid, 2-methyl-, 2,3-dihydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid, 2-methyl-, 2,3-dihydroxypropyl ester
- 2,3-dihydroxypropyl 2-methyltetradecanoate
- 62244-27-3
- DTXSID80810447
-
- Inchi： 1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3
- InChI Key： ADKYLNMLIUWCBM-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)C(C(C)CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 316.26148
- Monoisotopic Mass: 316.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 256
- 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: 5.6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Tetradecanoic acid, 2-methyl-, 2,3-dihydroxypropyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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