551-45-1 ((2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-)

快速询单

结构式：

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-MOL文件

CAS号：

551-45-1

英文名称：

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-

分子式：

C₉H₁₂O₂

分子量：

152.190382957458

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-(551-45-1)名称与标识符

名称

英文别名：

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-;4-hydroxy-3-methyl-2-prop-2-enyl-cyclopent-2-en-1-one;Allethrolon;1-Methyl-2-allyl-5-hydroxycyclopentene-3-one;2-allyl-3-methyl-2-cyclopenten-4-ol-1-one;2-allyl-3-methyl-4-hydroxy-2-cyclopentenone;2-allyl-3-methyl-4-hydroxycyclopent-2-enone;3-hydroxy-4-methyl-5-allyl-cyclopent-4-en-1-one;4-Hydroxy-3-methyl-2-(2-propenyl)-2-cyclopentene-1-one;2-allyl-3-methyl-4-hydroxy-2cyclopentenone;4-hydroxy-3-methyl-2-prop-2-enyl-1-cyclopent-2-enone;NSC-42192;2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one(R,S);2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one;2-allyl-4-hydroxy-3-methylcyclopent-2-enone;W-106983;29605-88-7;hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one;NS00052325;(RS)-4-hydroxy-3-methyl-2-(2-propenyl)-cyclopent-2-ene-1-one;2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-, (+-)-;3-methyl-4-oxidanyl-2-prop-2-enyl-cyclopent-2-en-1-one;2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-;2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl- (VAN);NSC 42192;A819974;2-allyl-4-hydroxy-3-methyl-2-cyclopentenone;Allethrolone (VAN);2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one #;SCHEMBL358422;4-hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one;DTXSID80885458;(1)-2-Allyl-4-hydroxy-3-methylcyclopent-2-en-1-one;EINECS 249-724-0;Allethrolone;551-45-1;4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one;NSC42192;(RS)-3-methyl-2-(2-propenyl)-4-hydroxy-cyclopent-2-ene-1-one;2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-;3-allyl-2-metyl-1-hydroxy-2-cyclopenten-4-one;AI3-20047;AKOS006272438;

标识符

InChIKey：

KZYVOZABVXLALY-UHFFFAOYSA-N

Inchi：

1S/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3

SMILES：

OC1CC(C(CC=C)=C1C)=O

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-(551-45-1)物化性质

实验特性

LogP : 1.21270
PSA : 37.30000

计算特性

精确分子量 : 152.08400
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 152.08373
重原子数量 : 11
复杂度 : 226
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.4
拓扑分子极性表面积 : 37.3

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-(551-45-1)相关文献

1. Quantitative determination of the enantiomeric purity of synthetic pyrethroids. Part II. S-bioallethrin
F. E. Rickett,P. B. Henry Analyst 1974 99 330
2. The versatility of furfuryl alcohols and furanoxonium ions in synthesis
Matthew J. Palframan,Gerald Pattenden Chem. Commun. 2014 50 7223
3. Activation and stabilization of enzymes in ionic liquids
Muhammad Moniruzzaman,Noriho Kamiya,Masahiro Goto Org. Biomol. Chem. 2010 8 2887
4. Oxidative dimerisations of natural rethrolones and related compounds with manganese dioxide
L. Crombie,J. A. Ellis,R. Gould,Gerald Pattenden,M. Elliott,N. F. Janes,K. A. Jeffs J. Chem. Soc. C 1971 9
5. Stereoselectivity of an enzyme-linked, immunosorbent assay for S-bioallethrin
Mengmeng Cao,Ming Li,Xu Yan,Minghua Wang Anal. Methods 2012 4 534
6. 569. The pyrethrins and related compounds. Part VI. The structures of the “enols” of pyrethrolone
M. Elliott J. Chem. Soc. 1965 3097
7. Synthesis of Z-rethrolones and Z-rethrones
Gerald Pattenden,Richard Storer J. Chem. Soc. Perkin Trans. 1 1974 1603
8. Acid-catalysed transformations of substituted 4-hydroxy-2-(prop-2-enyl)cyclopent-2-enones
Gerald Pattenden,Richard Storer J. Chem. Soc. Perkin Trans. 1 1974 1606
9. Acid-catalysed transformations of substituted 4-hydroxy-2-(prop-2-enyl)cyclopent-2-enones
Gerald Pattenden,Richard Storer J. Chem. Soc. Perkin Trans. 1 1974 1606
10. Synthetic pyrethroids – a new class of insecticide
M. Elliott,N. F. Janes Chem. Soc. Rev. 1978 7 473

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