Cas no 77162-65-3 (6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)-)
![6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)- structure](https://ossimg.kuujia.com/scimg/77500/77162-65-3x500.png)
77162-65-3 structure
Product Name:6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)-
CAS No:77162-65-3
MF:C13H20O4
MW:240.295504570007
CID:571860
PubChem ID:6440575
Update Time:2025-04-19
6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)-
- 6-Oxabicyclo(3.2.1)octan-3-one, 8-hydroxy-8-(3-hydroxy-1-butenyl)-1,5-dimethyl-
- 8-hydroxy-8-[(E)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
- drummondol
- 77162-65-3
-
- Inchi： 1S/C13H20O4/c1-9(14)4-5-13(16)11(2)6-10(15)7-12(13,3)17-8-11/h4-5,9,14,16H,6-8H2,1-3H3/b5-4+
- InChI Key： KENVUEOHDFOVNA-SNAWJCMRSA-N
- SMILES： O1CC2(C)CC(CC1(C)C2(/C=C/C(C)O)O)=O
Computed Properties
- Exact Mass: 240.1362
- Monoisotopic Mass: 240.136159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 378
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8
- XLogP3: -0.6
Experimental Properties
- Density: 1.294
- Boiling Point: 394.6°C at 760 mmHg
- Flash Point: 147.9°C
- Refractive Index: 1.613
- PSA: 66.76
6-Oxabicyclo[3.2.1]octan-3-one,8-hydroxy-8-[(1E)-3-hydroxy-1-buten-1-yl]-1,5-dimethyl-, (1R,5R,8S)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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