Cas no 13152-05-1 (Cyclooctene, 3-methyl-)
Cyclooctene, 3-methyl- structure
Product Name:Cyclooctene, 3-methyl-
Cyclooctene, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclooctene, 3-methyl-
- 3-METHYLCYCLOOCTENE
- 3-Methyl-1-cyclooctene
- 3-methyl-cyclooctene
- 3-methykcyclooctene
- 3-Methyl-1-cyclooctene #
- (1Z)-3-methylcyclooctene
- AKOS006274368
- 13152-05-1
- NSC-120745
- NSC120745
- VGMAAJKEQOXIML-ALCCZGGFSA-N
- (Z)-Cyclooctene, 3-methyl
-
- Inchi: 1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-
- InChI Key: VGMAAJKEQOXIML-ALCCZGGFSA-N
- SMILES: C1CCCCC=CC1C |c:5|
Computed Properties
- Exact Mass: 124.12500
- Monoisotopic Mass: 124.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 92.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.9
Experimental Properties
- Density: 0.8
- Boiling Point: 159.1°C at 760 mmHg
- Flash Point: 33.9°C
- Refractive Index: 1.443
- PSA: 0.00000
- LogP: 3.14280
Cyclooctene, 3-methyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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