Cas no 1574-32-9 (Tetranonacontane)
Tetranonacontane structure
Product Name:Tetranonacontane
Tetranonacontane Chemical and Physical Properties
Names and Identifiers
-
- Tetranonacontane
- n-Tetranonacontan
- n-Tetranonacontane
- NSC123368
- DTXSID90298474
- 1574-32-9
- Q18456227
- NSC-123368
-
- Inchi： 1S/C94H190/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-94H2,1-2H3
- InChI Key： YDJDWTABIISOAQ-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 1319.49000
- Monoisotopic Mass: 1319.487
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 94
- Rotatable Bond Count: 91
- Complexity: 1100
- 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: 50.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 36.91540
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