Cas no 56195-36-9 (11-Tridecen-1-ol, acetate, (E)-)
56195-36-9 structure
Product Name:11-Tridecen-1-ol, acetate, (E)-
CAS No:56195-36-9
MF:C15H30O3
MW:258.396905422211
CID:349527
PubChem ID:71444805
Update Time:2025-04-19
11-Tridecen-1-ol, acetate, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 11-Tridecen-1-ol, acetate, (E)-
- acetic acid,tridec-11-en-1-ol
- (11E)-Tridec-11-en-1-yl acetate
- 11-tridecen-1-ol, acetate, (11E)-
- 56195-36-9
- DTXSID80853556
- Acetic acid--tridec-11-en-1-ol (1/1)
-
- Inchi： 1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h2-3,14H,4-13H2,1H3;1H3,(H,3,4)
- InChI Key： ZJUMDMPLYKRQAJ-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCC=CC.OC(C)=O
Computed Properties
- Exact Mass: 240.20904
- Monoisotopic Mass: 258.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 149
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 26.3
11-Tridecen-1-ol, acetate, (E)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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