Cas no 61372-47-2 (1,3,5,7,9,11-Cyclododecahexaene, 1,2-dimethyl-)
61372-47-2 structure
Product Name:1,3,5,7,9,11-Cyclododecahexaene, 1,2-dimethyl-
CAS No:61372-47-2
MF:C14H16
MW:184.276844024658
CID:481794
PubChem ID:121232942
Update Time:2025-04-19
1,3,5,7,9,11-Cyclododecahexaene, 1,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5,7,9,11-Cyclododecahexaene, 1,2-dimethyl-
- 1,12-dimethylcyclododeca-1,3,5,7,9,11-hexaene
- DTXSID50817963
- 61372-47-2
-
- Inchi： 1S/C14H16/c1-13-11-9-7-5-3-4-6-8-10-12-14(13)2/h3-12H,1-2H3/b4-3-,5-3-,6-4+,7-5+,8-6+,9-7+,10-8-,11-9-,12-10-,13-11-,14-12+,14-13+
- InChI Key： IVKLSYCTADINMI-LREPCHAYSA-N
- SMILES： C1(C=CC=CC=CC=CC=CC=1C)C |c:1,5,9,t:3,7,11|
Computed Properties
- Exact Mass: 184.12528
- Monoisotopic Mass: 184.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 6
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3,5,7,9,11-Cyclododecahexaene, 1,2-dimethyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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