Cas no 16980-85-1 (1-Pentacosene)
1-Pentacosene structure
Product Name:1-Pentacosene
CAS No:16980-85-1
MF:C25H50
MW:350.664508342743
CID:1351701
PubChem ID:528972
Update Time:2025-04-20
1-Pentacosene Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentacosene
- pentacos-1-ene
- 16980-85-1
- Pentacosene
- UNII-4NJA26G80G
- 4NJA26G80G
- LMFA11000326
- Q27147831
- BDWBGSCECOPTTH-UHFFFAOYSA-N
- CHEBI:78465
- n-C13H27CH=CH2
- A838053
- DTXSID40168759
-
- Inchi： 1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-25H2,2H3
- InChI Key： BDWBGSCECOPTTH-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCCCC)CCCCCCCCCCCC=C
Computed Properties
- Exact Mass: 350.3915
- Monoisotopic Mass: 350.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 25
- Rotatable Bond Count: 22
- Complexity: 230
- 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: 13.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.7982 (estimate)
- Melting Point: 48.7°C
- Boiling Point: 394.61°C (estimate)
- PSA: 0
1-Pentacosene Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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