Cas no 56956-46-8 (undeca-1,2-diene)
undeca-1,2-diene structure
Product Name:undeca-1,2-diene
undeca-1,2-diene Chemical and Physical Properties
Names and Identifiers
-
- undeca-1,2-diene
- 1,2-Undecadiene
- AC1L7U6T
- n-octylallene
- NSC244882
- n-undeca-1,2-diene
- 56956-46-8
- NSC-244882
- DTXSID80311686
-
- Inchi： 1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h5H,1,4,6-11H2,2H3
- InChI Key： OWXPSFAORFVXRJ-UHFFFAOYSA-N
- SMILES： C(CCCC=C=C)CCCC
Computed Properties
- Exact Mass: 152.1566
- Monoisotopic Mass: 152.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 107
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.746
- Boiling Point: 202°C at 760 mmHg
- Flash Point: 64.5°C
- Refractive Index: 1.43
- PSA: 0
- LogP: 4.07810
undeca-1,2-diene Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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