Cas no 53585-45-8 (Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)-)
![Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)- structure](https://ossimg.kuujia.com/scimg/54000/53585-45-8x500.png)
53585-45-8 structure
Product Name:Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)-
CAS No:53585-45-8
MF:C10H14O
MW:150.217563152313
CID:356923
PubChem ID:71365151
Update Time:2025-04-19
Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)-
- DTXSID30788581
- 53585-45-8
- (1R)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one
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- Inchi： 1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-8H,5H2,1-3H3/t7?,8-/m0/s1
- InChI Key： SAFIHMIEMQFPDA-MQWKRIRWSA-N
- SMILES： O=C1C(C)=CCC2[C@@H]1C2(C)C
Computed Properties
- Exact Mass: 150.10452
- Monoisotopic Mass: 150.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Bicyclo[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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