Cas no 94625-86-2 (1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)-)
94625-86-2 structure
Product Name:1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)-
CAS No:94625-86-2
MF:C10H16
MW:136.234043121338
CID:752211
PubChem ID:11094680
Update Time:2025-04-19
1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)-
- 1-tert-butylcyclohexa-1,4-diene
- DTXSID90454896
- 94625-86-2
-
- Inchi： 1S/C10H16/c1-10(2,3)9-7-5-4-6-8-9/h4-5,8H,6-7H2,1-3H3
- InChI Key： DBIGUTNZWJEATL-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1=CCC=CC1
Computed Properties
- Exact Mass: 136.125200510g/mol
- Monoisotopic Mass: 136.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 3.4
- Topological Polar Surface Area: 0?2
1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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