Cas no 98127-90-3 (Dodecamethyl-(6)pericyclyne)
Dodecamethyl-(6)pericyclyne structure
Product Name:Dodecamethyl-(6)pericyclyne
CAS No:98127-90-3
MF:C30H36
MW:396.606848716736
CID:860678
Update Time:2023-08-03
Dodecamethyl-(6)pericyclyne Chemical and Physical Properties
Names and Identifiers
-
- dodecamethyl-[6]pericyclyne
- 3,3,6,6,9,9,12,12,15,15,18,18-dodecamethylcyclooctadeca-1,4,7,10,13,16-hexayne
- Dodecamethyl-(6)pericyclyne
-
- Inchi： 1S/C30H36/c1-25(2)13-15-26(3,4)17-19-28(7,8)21-23-30(11,12)24-22-29(9,10)20-18-27(5,6)16-14-25/h1-12H3
- InChI Key： BRJNVSWZHFRAQA-UHFFFAOYSA-N
- SMILES： C1(C#CC(C#CC(C#CC(C#CC(C#CC(C#C1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Computed Properties
- Exact Mass: 396.281701
- Monoisotopic Mass: 396.281701
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 0
- Complexity: 827
- 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
- Topological Polar Surface Area: 0
Experimental Properties
- Density: 0.98
- Boiling Point: 474.9°C at 760 mmHg
- Flash Point: 244.3°C
- Refractive Index: 1.543
Dodecamethyl-(6)pericyclyne Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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