Cas no 33968-46-6 (1,2-Tridecanediol)
1,2-Tridecanediol structure
Product Name:1,2-Tridecanediol
CAS No:33968-46-6
MF:C13H28O2
MW:216.360224723816
CID:1462432
PubChem ID:12351431
Update Time:2025-04-20
1,2-Tridecanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Tridecanediol
- DTXSID901009149
- SCHEMBL1643799
- 33968-46-6
- DB-201291
- tridecane-1,2-diol
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- Inchi： 1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h13-15H,2-12H2,1H3
- InChI Key： IOYXJNDDBALLFR-UHFFFAOYSA-N
- SMILES： OC(CO)CCCCCCCCCCC
Computed Properties
- Exact Mass: 216.20904
- Monoisotopic Mass: 216.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Tridecanediol Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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