Cas no 872598-50-0 (1,9-Pentadecadiene)
1,9-Pentadecadiene structure
Product Name:1,9-Pentadecadiene
CAS No:872598-50-0
MF:C15H28
MW:208.382824897766
CID:1881287
PubChem ID:283561
Update Time:2025-04-21
1,9-Pentadecadiene Chemical and Physical Properties
Names and Identifiers
-
- 1,9-Pentadecadiene
- pentadeca-1,9-diene
- DTXSID60300710
- 872598-50-0
-
- Inchi： 1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,12,14H,1,4-11,13,15H2,2H3
- InChI Key： DCWRQLLTZINTME-UHFFFAOYSA-N
- SMILES： C(CCC=CCCCCC)CCCC=C
Computed Properties
- Exact Mass: 208.219100893g/mol
- Monoisotopic Mass: 208.219100893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 144
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 7.4
- Topological Polar Surface Area: 0?2
1,9-Pentadecadiene Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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