Cas no 110731-17-4 (11,13-Octadecadienoic acid, (11Z,13E)-)
110731-17-4 structure
Product Name:11,13-Octadecadienoic acid, (11Z,13E)-
CAS No:110731-17-4
MF:C18H32O2
MW:280.445486068726
CID:1194773
Update Time:2024-08-04
11,13-Octadecadienoic acid, (11Z,13E)- Chemical and Physical Properties
Names and Identifiers
-
- 11,13-Octadecadienoic acid, (11Z,13E)-
- octadeca-11,13-dienoic acid
-
- Inchi： 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,9-17H2,1H3,(H,19,20)/b6-5+,8-7-
- InChI Key： JGFMXQLVWUGIPI-MDAAKZFYSA-N
- SMILES： C(O)(=O)CCCCCCCCC/C=C\C=C\CCCC
Computed Properties
- Exact Mass: 280.24
- Monoisotopic Mass: 280.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 6.8
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 0.911±0.06 g/cm3(Predicted)
- Boiling Point: 407.5±14.0 °C(Predicted)
- LogP: 5.88450
- pka: 4.78±0.10(Predicted)
11,13-Octadecadienoic acid, (11Z,13E)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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