Cas no 81221-85-4 (4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-)
![4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)- structure](https://ossimg.kuujia.com/scimg/81500/81221-85-4x500.png)
81221-85-4 structure
Product Name:4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-
CAS No:81221-85-4
MF:C13H18O
MW:190.281424045563
CID:727234
PubChem ID:20510297
Update Time:2025-04-19
4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-
- 1-(6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)pent-4-en-1-one
- 1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)pent-4-en-1-one
- NS00060453
- DTXSID501001862
- 1-(6,6-Dimethylbicyclo(3.1.0)hex-2-en-2-yl)pent-4-en-1-one
- EINECS 279-708-9
- SCHEMBL11137833
- 81221-85-4
-
- Inchi： 1S/C13H18O/c1-4-5-6-11(14)9-7-8-10-12(9)13(10,2)3/h4,7,10,12H,1,5-6,8H2,2-3H3
- InChI Key： KDIUVWJESDSKRW-UHFFFAOYSA-N
- SMILES： O=C(CCC=C)C1=CCC2C1C2(C)C
Computed Properties
- Exact Mass: 190.135765193g/mol
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.985
- Boiling Point: 265.6°C at 760 mmHg
- Flash Point: 105.9°C
- Refractive Index: 1.507
- PSA: 17.07000
- LogP: 3.12400
4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
81221-85-4 (4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-) Related Products
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