Cas no 33766-30-2 (Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-)
![Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)- structure](https://ossimg.kuujia.com/scimg/34000/33766-30-2x500.png)
33766-30-2 structure
Product Name:Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-
CAS No:33766-30-2
MF:C10H16O
MW:152.233443260193
CID:1465644
PubChem ID:6553876
Update Time:2025-04-20
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-
- (-)-.BETA.-THUJONE
- (1R,4R,5S)-thujan-3-one
- (-)-3-Thujone
- 33766-30-2
- (1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1R,4R,5S)-thujan-3-one
- DTXSID50424914
- (-)-beta-thujone
- (1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
- (-)-cis-Thujone
- Isothujone, (-)-
- (-)-Isothujone
- CHEBI:50046
- L-Isothujone
- 0871SY94RA
- trans-thujone
- Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-
- Q27121870
- LMPR0102120040
- UNII-0871SY94RA
- (1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
- (1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
-
- Inchi： 1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
- InChI Key： USMNOWBWPHYOEA-KHQFGBGNSA-N
- SMILES： O=C1C[C@@]2(C(C)C)C[C@H]2[C@H]1C
Computed Properties
- Exact Mass: 152.12018
- Monoisotopic Mass: 152.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 2.3
Experimental Properties
- PSA: 17.07
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
33766-30-2 (Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1R,4R,5S)-) Related Products
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