Cas no 2108-05-6 (3-Hepten-1-ol, (3E)-)
3-Hepten-1-ol, (3E)- structure
Product Name:3-Hepten-1-ol, (3E)-
3-Hepten-1-ol, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hepten-1-ol, (3E)-
- trans-3-Hepten-1-Ol;(E)-hept-3-en-1-ol
- UNII-VW3O51CET7
- (E)-Hept-3-en-1-ol
- UNII-81C6I6M8QZ
- Q27893778
- NS00045580
- 3-hepten-1-ol, AldrichCPR
- 10606-47-0
- SDZQUCJFTUULJX-UHFFFAOYSA-N
- (E)-3-HEPTEN-1-OL
- 2108-05-6
- 81C6I6M8QZ
- trans-3-Heptenol
- AKOS006229260
- EINECS 218-292-5
- VW3O51CET7
- DTXSID20883796
- 3-heptenol
- trans-3-Hepten-1-Ol
- 3-Hepten-1-ol
- (3E)-3-Hepten-1-ol
- (E)-3-HEPTENOL
- SCHEMBL531136
- 3-Hepten-1-ol, (E)-
- (3E)-hept-3-en-1-ol
-
- Inchi： 1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4+
- InChI Key： SDZQUCJFTUULJX-SNAWJCMRSA-N
- SMILES： OCC/C=C/CCC
Computed Properties
- Exact Mass: 114.10452
- Monoisotopic Mass: 114.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 57.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-Hepten-1-ol, (3E)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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