Cas no 905910-49-8 (2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)-)
![2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)- structure](https://ossimg.kuujia.com/scimg/906000/905910-49-8x500.png)
905910-49-8 structure
Product Name:2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)-
CAS No:905910-49-8
MF:C30H50O4
MW:474.715610027313
CID:5667568
PubChem ID:60145164
Update Time:2023-09-11
2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)- Chemical and Physical Properties
Names and Identifiers
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- 3beta-Hexyl-4alpha-[(R)-2-(4-methoxybenzyloxy)tridecyl]oxetane-2-one
- 905910-49-8
- (3S,4S)-3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]oxetan-2-one
- 2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)-
-
- Inchi： 1S/C30H50O4/c1-4-6-8-10-11-12-13-14-15-17-27(33-24-25-19-21-26(32-3)22-20-25)23-29-28(30(31)34-29)18-16-9-7-5-2/h19-22,27-29H,4-18,23-24H2,1-3H3/t27-,28+,29+/m1/s1
- InChI Key： XEQMJLATFYNTAH-ULNSLHSMSA-N
- SMILES： O1C([C@@H](CCCCCC)[C@@H]1C[C@@H](CCCCCCCCCCC)OCC1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 474.37091007g/mol
- Monoisotopic Mass: 474.37091007g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 21
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.3
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 0.970±0.06 g/cm3(Predicted)
- Boiling Point: 565.2±25.0 °C(Predicted)
2-Oxetanone, 3-hexyl-4-[(2R)-2-[(4-methoxyphenyl)methoxy]tridecyl]-, (3S,4S)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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