Cas no 62019-06-1 (2,6-Heptadien-1-ol, (2E)-)
2,6-Heptadien-1-ol, (2E)- structure
Product Name:2,6-Heptadien-1-ol, (2E)-
CAS No:62019-06-1
MF:C7H12O
MW:112.169582366943
CID:460583
PubChem ID:53900551
Update Time:2025-04-19
2,6-Heptadien-1-ol, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptadien-1-ol, (2E)-
- hepta-2,6-dien-1-ol
- DTXSID30707515
- 62019-06-1
-
- Inchi： 1S/C7H12O/c1-2-3-4-5-6-7-8/h2,5-6,8H,1,3-4,7H2
- InChI Key： HWUMVJBWKZMIKH-UHFFFAOYSA-N
- SMILES： OCC=CCCC=C
Computed Properties
- Exact Mass: 112.08886
- Monoisotopic Mass: 112.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 74.5
- 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: 1.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2,6-Heptadien-1-ol, (2E)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
62019-06-1 (2,6-Heptadien-1-ol, (2E)-) Related Products
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