Cas no 54662-33-8 (1,3-Propanediol, 2,2-dihexyl-)
1,3-Propanediol, 2,2-dihexyl- structure
Product Name:1,3-Propanediol, 2,2-dihexyl-
CAS No:54662-33-8
MF:C15H32O2
MW:244.413385391235
CID:353992
PubChem ID:22719291
Update Time:2025-04-19
1,3-Propanediol, 2,2-dihexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2,2-dihexyl-
- 2,2-dihexylpropane-1,3-diol
- 2,2-Dihexyl Propane-1,3-diol
- SCHEMBL1354834
- AKOS024390326
- 54662-33-8
- AQJBTVUWDXWSGQ-UHFFFAOYSA-N
- DTXSID00627771
- 2,2-dihexyl-1,3-propanediol
-
- Inchi： 1S/C15H32O2/c1-3-5-7-9-11-15(13-16,14-17)12-10-8-6-4-2/h16-17H,3-14H2,1-2H3
- InChI Key： AQJBTVUWDXWSGQ-UHFFFAOYSA-N
- SMILES： OCC(CO)(CCCCCC)CCCCCC
Computed Properties
- Exact Mass: 244.24036
- Monoisotopic Mass: 244.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 139
- 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: 5.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,3-Propanediol, 2,2-dihexyl- Related Literature
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
54662-33-8 (1,3-Propanediol, 2,2-dihexyl-) Related Products
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