Cas no 27959-79-1 (Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI))
27959-79-1 structure
Product Name:Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI)
CAS No:27959-79-1
MF:C21H38O4
MW:354.524027347565
CID:265159
PubChem ID:220111
Update Time:2025-04-19
Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI)
- 3-(HEXOXYCARBONYLMETHYL)-2,2-DIMETHYLCYCLOBUTANECARBOXYLIC ACID, HEXYL ESTER
- ((1S)-3c-hexyloxycarbonyl-2,2-dimethyl-cyclobut-r-yl)-acetic acid hexyl ester
- ((1S)-3c-Hexyloxycarbonyl-2,2-dimethyl-cyclobut-r-yl)-essigsaeure-hexylester
- DestoMycin
- destomycin A
- Destonate 20
- Destonmycin A
- Hygromycin-B
- 27959-79-1
- Pinic acid, Dihexyl ester
- 3-(HEXOXYCARBONYLMETHYL)-2, HEXYL ESTER
- DTXSID201034010
- NSC-2394
- NSC2394
-
- Inchi： 1S/C21H38O4/c1-5-7-9-11-13-24-19(22)16-17-15-18(21(17,3)4)20(23)25-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3/t17-,18-/m1/s1
- InChI Key： LQWWBUISXKONLQ-QZTJIDSGSA-N
- SMILES： O(CCCCCC)C([C@H]1C[C@H](CC(=O)OCCCCCC)C1(C)C)=O
Computed Properties
- Exact Mass: 354.27714
- Monoisotopic Mass: 354.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 5.28580
Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
27959-79-1 (Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI)) Related Products
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- 18268-70-7(3,6,9-Trioxaundecamethylenebis-(2-ethylhexanoate))
- 14924-53-9(Ethyl cyclobutanecarboxylate)
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