Cas no 88277-52-5 (2,7-Octadiene-1,6-diol, 2,6-dimethyl-, 6-acetate)
88277-52-5 structure
Product Name:2,7-Octadiene-1,6-diol, 2,6-dimethyl-, 6-acetate
CAS No:88277-52-5
MF:C12H20O3
MW:212.285404205322
CID:639081
PubChem ID:54160784
Update Time:2025-04-19
2,7-Octadiene-1,6-diol, 2,6-dimethyl-, 6-acetate Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, 6-acetate
- DTXSID301236924
- 88277-52-5
-
- Inchi： 1S/C12H20O3/c1-5-12(4,15-11(3)14)8-6-7-10(2)9-13/h5,7,13H,1,6,8-9H2,2-4H3
- InChI Key： OOFZRYUFEYRUPT-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C=C)(C)CCC=C(C)CO
Computed Properties
- Exact Mass: 212.14124450g/mol
- Monoisotopic Mass: 212.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 46.5?2
2,7-Octadiene-1,6-diol, 2,6-dimethyl-, 6-acetate Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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