Cas no 71276-99-8 (2-Undecene,1,1-diethoxy-, (Z)- (9CI))
71276-99-8 structure
Product Name:2-Undecene,1,1-diethoxy-, (Z)- (9CI)
CAS No:71276-99-8
MF:C15H30O2
MW:242.397505283356
CID:567411
PubChem ID:12533599
Update Time:2025-04-19
2-Undecene,1,1-diethoxy-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Undecene,1,1-diethoxy-, (Z)- (9CI)
- (Z)-1,1-Diethoxyundec-2-ene
- (2E)-1,1-diethoxyundec-2-ene
- NS00063486
- DTXSID201303435
- 2-Undecene, 1,1-diethoxy-, (Z)-
- EINECS 275-306-2
- 71276-99-8
-
- Inchi： 1S/C15H30O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h13-15H,4-12H2,1-3H3/b14-13-
- InChI Key： LBQJYAKETIUXGG-YPKPFQOOSA-N
- SMILES： O(CC)C(/C=C\CCCCCCCC)OCC
Computed Properties
- Exact Mass: 242.2247
- Monoisotopic Mass: 242.22458
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5
- XLogP3: 5.4
Experimental Properties
- Density: 0.856
- Boiling Point: 302.1°C at 760 mmHg
- Flash Point: 86.7°C
- Refractive Index: 1.443
- PSA: 18.46
2-Undecene,1,1-diethoxy-, (Z)- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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