127-92-4 (6,6-二甲基双环[3.1.1]庚烷,Bicyclo[3.1.1]heptane,6,6-dimethyl-)

快速询单

结构式：

6,6-二甲基双环[3.1.1]庚烷MOL文件

CAS号：

127-92-4

中文名称：

6,6-二甲基双环[3.1.1]庚烷

英文名称：

Bicyclo[3.1.1]heptane,6,6-dimethyl-

分子式：

C₉H₁₆

分子量：

124.223342895508

6,6-二甲基双环[3.1.1]庚烷(127-92-4)名称与标识符

名称

中文别名：

6,6-二甲基双环[3.1.1]庚烷;

英文别名：

Bicyclo[3.1.1]heptane,6,6-dimethyl-;6,6-Dimethylbicyclo[3.1.1]heptane;6,6-Dimethylnorpinane;Apopinane;Norpinane,6,6-dimethyl- (6CI,8CI);UCZTUROBDISEKY-UHFFFAOYSA-N;127-92-4;DTXSID601298975;

标识符

InChIKey：

UCZTUROBDISEKY-UHFFFAOYSA-N

Inchi：

1S/C9H16/c1-9(2)7-4-3-5-8(9)6-7/h7-8H,3-6H2,1-2H3

SMILES：

C1(C)(C)C2CCCC1C2

6,6-二甲基双环[3.1.1]庚烷(127-92-4)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 124.12528
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 124.125200510g/mol
重原子数量 : 9
复杂度 : 112
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 : 2
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） : 3.6
拓扑分子极性表面积 : 0Å²

6,6-二甲基双环[3.1.1]庚烷(127-92-4)相关文献

1. 3α-Acetoxy-6,6-dimethylbicyclo[3.1.1]heptane-2-spiro-1′-cyclopropane from nopylamine deamination
Raymond J. Abraham,Richard Jones-Parry,Rodney M. Giddings,Jonathan Guy,David Whittaker J. Chem. Soc. Perkin Trans. 1 1998 643
2. Two syntheses of pinane thromboxane A2
Martin F. Ansell,Michael P. L. Caton,Keith A. J. Stuttle J. Chem. Soc. Perkin Trans. 1 1984 1069
3. Reductive free-radical alkylations and cyclisations mediated by 1-alkylcyclohexa-2,5-diene-1-carboxylic acids
Paul A. Baguley,John C. Walton J. Chem. Soc. Perkin Trans. 1 1998 2073
4. Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X?=?Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S?)-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2
Gang Zhao,Qi-Guang Wang,Thomas C. W. Mak J. Chem. Soc. Dalton Trans. 1998 1241
5. The reactions of dimethyl carbonate and its derivatives
P. Tundo,M. Musolino,F. Aricò Green Chem. 2018 20 28
6. Enantioselective allylation of imines catalyzed by newly developed (?)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid
Rodney A. Fernandes,Jothi L. Nallasivam Org. Biomol. Chem. 2012 10 7789
7. Efficient emission of Zn(ii) and Cd(ii) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism
Tatyana E. Kokina,Nikita A. Shekhovtsov,Eugene S. Vasilyev,Ludmila A. Glinskaya,Aleksandr V. Mikheylis,Victor F. Plyusnin,Alexey V. Tkachev,Mark B. Bushuev Dalton Trans. 2023 52 7429
8. Metal-mediated tunability of MOF-based optical modulators
Nikita K. Kulachenkov,Bogdan Orlioglo,Eugene S. Vasilyev,Svyatoslav A. Povarov,Alexander M. Agafontsev,Semyon Bachinin,Sergei Shipilovskikh,Artem Lunev,Denis G. Samsonenko,Vladimir P. Fedin,Konstantin A. Kovalenko,Valentin A. Milichko Chem. Commun. 2023 59 9964
9. A value-added use of volatile turpentine: antifungal activity and QSAR study of β-pinene derivatives against three agricultural fungi
Jian Li,Xiangrong Tian,Yanqing Gao,Shibin Shang,Juntao Feng,Xing Zhang RSC Adv. 2015 5 66947
10. Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes
Tian-Shu Zhang,Wen-Juan Hao,Rong Wang,Shi-Chao Wang,Shu-Jiang Tu,Bo Jiang Green Chem. 2020 22 4259

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