Cas no 5178-94-9 (1,4-Cyclohexadiene, 3-butyl-)
1,4-Cyclohexadiene, 3-butyl- structure
Product Name:1,4-Cyclohexadiene, 3-butyl-
CAS No:5178-94-9
MF:C10H16
MW:136.234043121338
CID:361385
PubChem ID:42627136
Update Time:2025-04-19
1,4-Cyclohexadiene, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexadiene, 3-butyl-
- 3-butylcyclohexa-1,4-diene
- 5178-94-9
- DTXSID00655251
-
- Inchi： 1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h5-6,8-10H,2-4,7H2,1H3
- InChI Key： SWKVOSARGXHSDC-UHFFFAOYSA-N
- SMILES： C1(C=CCC=C1)CCCC
Computed Properties
- Exact Mass: 136.12528
- 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: 3
- Complexity: 119
- 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: 4.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,4-Cyclohexadiene, 3-butyl- Related Literature
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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