Ciklooktan

Ciklooctani
Identifikacija
CAS registarski broj	292-64-8
PubChem	9266
ChemSpider	8909
ChEMBL	CHEMBL452651
Jmol-3D slike	Slika 1
SMILES
	C1CCCCCCC1
InChI
	InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2 ; Kod: WJTCGQSWYFHTAC-UHFFFAOYSA-N InChI=1/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2; Kod: WJTCGQSWYFHTAC-UHFFFAOYAO
Svojstva
Molekulska formula	C8H16
Molarna masa	112,21 g/mol
Gustina	0,834 g/cm3
Tačka topljenja	14.59 °C
Tačka ključanja	149 °,
Rastvorljivost u vodi	7,90 mg/L
Srodna jedinjenja
Srodna Cikloalkan	Cikloheptan
	(šta je ovo?) (verifikuj) ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Ciklooktan je cikloalkan sa molekulskom formulom (CH₂)₈.^[5] On je jednostavni bezbojni ugljovodonik. On je takođe referentno jedinjenje za jedinjenja sa zasićenim osmočlanim prstenom.

Konformacija

Konformacije ciklooktana su ekstenzivno izučavane koristeći računarske metode. Kada-stolica konformacija (I) je najstabilnija forma.^[6]^[7] Konformacija krune^[8] (II) je malo manje stabilna. Među mnogim jedinjenjima koja zauzimanju konformaciju krune (strukturu II) je S₈, elementarni sumpor.



Konformacija kade-stolice	Konformacija krune

Reference

↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit
↑ Mackay, Donald (2006). Handbook of Physical-chemical Properties and Environmental Fate for Organic Chemicals. CRC Press. str. 258. ISBN 1-56670-687-4.
↑ Hendrickson, James B. (1967). „Molecular Geometry V. Evaluation of Functions and Conformations of Medium Rings”. Journal of the American Chemical Society 89 (26): 7036–7043. DOI:10.1021/ja01002a036
↑ Dorofeeva, O.V.; Mastryukov, V.S.; Allinger, N.L.; Almenningen, A. (1985). „The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics calculations”. The Journal of Physical Chemistry 89 (2): 252–257. DOI:10.1021/j100248a015. Pristupljeno 2008-02-05.
↑ Međunarodna unija za čistu i primenjenu hemiju. "crown conformation". Kompendijum Hemijske Terminologije Internet edition.

Spoljašnje veze

Portal Hemija

[1] Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit

[2] Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.

[3] Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit

[4] Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit

[Mackay-5] Mackay, Donald (2006). Handbook of Physical-chemical Properties and Environmental Fate for Organic Chemicals. CRC Press. str. 258. ISBN 1-56670-687-4.

[Hendrickson1967-6] Hendrickson, James B. (1967). „Molecular Geometry V. Evaluation of Functions and Conformations of Medium Rings”. Journal of the American Chemical Society 89 (26): 7036–7043. DOI:10.1021/ja01002a036

[Dorofeeva1985-7] Dorofeeva, O.V.; Mastryukov, V.S.; Allinger, N.L.; Almenningen, A. (1985). „The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics calculations”. The Journal of Physical Chemistry 89 (2): 252–257. DOI:10.1021/j100248a015. Pristupljeno 2008-02-05.

[IUPAC_Crown-8] Međunarodna unija za čistu i primenjenu hemiju. "crown conformation". Kompendijum Hemijske Terminologije Internet edition.

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