Cas no 62130-85-2 (2,5-Cyclohexadien-1-one, 4-butylidene-2,6-bis(1,1-dimethylethyl)-)
62130-85-2 structure
Product Name:2,5-Cyclohexadien-1-one, 4-butylidene-2,6-bis(1,1-dimethylethyl)-
CAS No:62130-85-2
MF:C18H28O
MW:260.414325714111
CID:456997
PubChem ID:71389637
Update Time:2025-04-19
2,5-Cyclohexadien-1-one, 4-butylidene-2,6-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one, 4-butylidene-2,6-bis(1,1-dimethylethyl)-
- 2,6-ditert-butyl-4-butylidenecyclohexa-2,5-dien-1-one
- 2,6-Di-tert-butyl-4-butylidenecyclohexa-2,5-dien-1-one
- DTXSID30811626
- 62130-85-2
-
- Inchi： 1S/C18H28O/c1-8-9-10-13-11-14(17(2,3)4)16(19)15(12-13)18(5,6)7/h10-12H,8-9H2,1-7H3
- InChI Key： PLIPTHDLJPKYQV-UHFFFAOYSA-N
- SMILES： O=C1C(=C/C(=C\CCC)/C=C1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 260.21414
- Monoisotopic Mass: 260.214015512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 409
- 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: 5.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,5-Cyclohexadien-1-one, 4-butylidene-2,6-bis(1,1-dimethylethyl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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