176-91-0 (1-氧杂吡啶[4.5]癸烷,1-Oxaspiro[4.5]decane)

快速询单

结构式：

1-氧杂吡啶[4.5]癸烷MOL文件

CAS号：

176-91-0

中文名称：

1-氧杂吡啶[4.5]癸烷

英文名称：

1-Oxaspiro[4.5]decane

分子式：

C₉H₁₆O

分子量：

140.222743034363

1-氧杂吡啶[4.5]癸烷(176-91-0)名称与标识符

名称

英文别名：

1-Oxaspiro[4.5]decane;1-Oxa-1-spiro< 4.5> decan;1-oxaspiro[4.5]decan;1-Oxa-spiro[4.5]decan;1-oxa-spiro[4.5]decane;1-oxaspiro< 4,5> decane;1-Oxaspiro< 4.5> decan;1-oxaspiro< 4.5> decane;4-oxaspiro[4.5]decane;AC1L6XUB;CTK0I3466;NSC177454;SureCN320777;SCHEMBL320777;NSC-177454;DTXSID00306554;oxaspiro[4.5]decan;176-91-0;

标识符

InChIKey：

RNXNMGPFJLESKN-UHFFFAOYSA-N

Inchi：

1S/C9H16O/c1-2-5-9(6-3-1)7-4-8-10-9/h1-8H2

SMILES：

O1CCCC21CCCCC2

1-氧杂吡啶[4.5]癸烷(176-91-0)物化性质

实验特性

LogP : 2.49970
PSA : 9.23
折射率 : 1.476
沸点 : 178.9°Cat760mmHg
闪点 : 49.6°C
密度 : 0.95

计算特性

精确分子量 : 140.12018
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 140.120115
重原子数量 : 10
复杂度 : 114
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 : 0
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） : 2.2
拓扑分子极性表面积 : 9.2

1-氧杂吡啶[4.5]癸烷(176-91-0)相关文献

1. Studies in decarboxylation. Part VII. 2-Oxo-1-oxaspiro[4,5]decane-4-carboxylic acid
D. B. Bigley,R. W. May J. Chem. Soc. B 1969 994
2. Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols
Ming-Chang P. Yeh,Chia-Jung Liang,Cheng-Yuan Liu,Ya-fon Shih,I-Chen Lee,Hsiang-Fang Liu,Jeng-Long Wang Org. Biomol. Chem. 2013 11 3393
3. Organic chemistry of enyne sulfones: convenient one-pot synthesis of 2-ethoxy-3-ethynyl-4-methylene-2-perfluoroalkyl-3-(phenylsulfonyl)tetrahydrofurans
Mitsuhiro Yoshimatsu,Junichi Murase J. Chem. Soc. Perkin Trans. 1 2000 4427
4. Squalestatin synthetic studies: tethered control in a bicycloketalisation step
Alison M. Reid,Patrick G. Steel J. Chem. Soc. Perkin Trans. 1 1998 2795
5. Synthesis of a 4,5-epoxy-2-cyclohexen-1-one derivative via epoxide ring opening, 1,3-carbonyl transposition and epoxide ring regeneration: a synthetic study on a scyphostatin analogue
Ryukichi Takagi,Kengo Tojo,Masato Iwata,Katsuo Ohkata Org. Biomol. Chem. 2005 3 2031
6. Gold-catalyzed π-directed regioselective cyclization of bis(o-alkynyl benzyl alcohols): rapid access to dihydroisobenzofuran derivatives
Ziping Cao,Shan Li,Jie Li,Xin Meng,Huaqing Zhang,Xuejun Sun,Jinmao You New J. Chem. 2016 40 8211
7. Synthesis of cyclic ethers and allylic sulfides by rearrangement of phenylsulfanyl substituted 1,n-diols with toluene-p-sulfonic acid and with toluene-p-sulfonyl chloride
Laurent Djakovitch,Jason Eames,David J. Fox,Francis H. Sansbury,Stuart Warren J. Chem. Soc. Perkin Trans. 1 1999 2771
8. The stereoselective synthesis of oxetanes; exploration of a new, Mitsunobu-style procedure for the cyclisation of 1,3-diols
Martin Christlieb,John E. Davies,Jason Eames,Richard Hooley,Stuart Warren J. Chem. Soc. Perkin Trans. 1 2001 2983
9. Synthetic and stereochemical studies of the octahydro-1-benzopyran system
D. Vaughan Griffiths,Geoffrey Wilcox J. Chem. Soc. Perkin Trans. 2 1988 431
10. The manumycin-group metabolites
Isabel Sattler,Ralf Thiericke,Axel Zeeck Nat. Prod. Rep. 1998 15 221