Cas no 50986-41-9 (Hexadecanediol)
Hexadecanediol structure
Product Name:Hexadecanediol
CAS No:50986-41-9
MF:C16H34O2
MW:258.439965724945
CID:363666
PubChem ID:656980
Update Time:2025-04-19
Hexadecanediol Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanediol
- hexadecane-1,1-diol
- SRYDOKOCKWANAE-UHFFFAOYSA-N
- hexadecane diol
- SCHEMBL318856
- DTXSID90349677
- 50986-41-9
-
- Inchi： 1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16-18H,2-15H2,1H3
- InChI Key： SRYDOKOCKWANAE-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCC)O
Computed Properties
- Exact Mass: 258.25602
- Monoisotopic Mass: 258.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 14
- Complexity: 146
- 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: 6.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Hexadecanediol Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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