Cas no 94291-89-1 (2-Octanol,8-(decyloxy)-8-methoxy-2,6-dimethyl-)
94291-89-1 structure
Product Name:2-Octanol,8-(decyloxy)-8-methoxy-2,6-dimethyl-
CAS No:94291-89-1
MF:C21H44O3
MW:344.572267532349
CID:810931
PubChem ID:3024293
Update Time:2025-04-19
2-Octanol,8-(decyloxy)-8-methoxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol,8-(decyloxy)-8-methoxy-2,6-dimethyl-
- 8-(decyloxy)-8-methoxy-2,6-dimethyloctan-2-ol
- 8-decoxy-8-methoxy-2,6-dimethyloctan-2-ol
- 94291-89-1
- DTXSID30915714
- EINECS 304-916-4
- NS00066406
-
- Inchi： 1S/C21H44O3/c1-6-7-8-9-10-11-12-13-17-24-20(23-5)18-19(2)15-14-16-21(3,4)22/h19-20,22H,6-18H2,1-5H3
- InChI Key： XQLDKYPNLRNPAF-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCC)C(CC(C)CCCC(C)(C)O)OC
Computed Properties
- Exact Mass: 344.329
- Monoisotopic Mass: 344.329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 0.892
- Boiling Point: 420.4°Cat760mmHg
- Flash Point: 208°C
- Refractive Index: 1.452
2-Octanol,8-(decyloxy)-8-methoxy-2,6-dimethyl- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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