Cas no 88001-26-7 (1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)-)
88001-26-7 structure
Product Name:1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)-
CAS No:88001-26-7
MF:C9H14
MW:122.207462787628
CID:648877
PubChem ID:59970906
Update Time:2025-04-19
1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)-
- 2,5-dimethylhepta-1,3,5-triene
- DTXSID10733372
- 88001-26-7
-
- Inchi： 1S/C9H14/c1-5-9(4)7-6-8(2)3/h5-7H,2H2,1,3-4H3
- InChI Key： COQXDMOQOGUJRU-UHFFFAOYSA-N
- SMILES： C(=CC)(C)C=CC(=C)C
Computed Properties
- Exact Mass: 122.109550447g/mol
- Monoisotopic Mass: 122.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4
- Topological Polar Surface Area: 0?2
1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
88001-26-7 (1,3,5-Heptatriene, 2,5-dimethyl-, (E,E)-) Related Products
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