Cas no 36117-21-2 (11-methylgonane)
11-methylgonane structure
Product Name:11-methylgonane
CAS No:36117-21-2
MF:C18H30
MW:246.430805683136
CID:1474387
PubChem ID:169751
Update Time:2025-04-20
11-methylgonane Chemical and Physical Properties
Names and Identifiers
-
- 11-methylgonane
- (8S,9R,10S,13S,14R)-11-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
- 36117-21-2
- 11-Methylcyclopenta(a)phenanthrene
- 11H-Cyclopenta(a)phenanthrene, 11-methyl-
- DTXSID90957534
- 11-Methyl-11H-cyclopenta(a)phenanthrene
-
- Inchi： 1S/C18H30/c1-12-11-14-6-4-8-15(14)17-10-9-13-5-2-3-7-16(13)18(12)17/h12-18H,2-11H2,1H3/t12?,13?,14-,15+,16-,17-,18+/m0/s1
- InChI Key： FESONXZAUJAEPN-QWQOMMGDSA-N
- SMILES： [C@H]12C(C)C[C@@H]3CCC[C@H]3[C@@H]1CCC1CCCC[C@H]21
Computed Properties
- Exact Mass: 246.2349
- Monoisotopic Mass: 246.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.931
- Boiling Point: 337.2°C at 760 mmHg
- Flash Point: 143.6°C
- Refractive Index: 1.495
- PSA: 0
11-methylgonane Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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