Cas no 1075-97-4 (1,3-Dioxane-5-methanol, 2-ethenyl-5-ethyl-)
1075-97-4 structure
Product Name:1,3-Dioxane-5-methanol, 2-ethenyl-5-ethyl-
CAS No:1075-97-4
MF:C9H16O3
MW:172.221543312073
CID:1183681
PubChem ID:15300733
Update Time:2025-04-20
1,3-Dioxane-5-methanol, 2-ethenyl-5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-5-methanol, 2-ethenyl-5-ethyl-
- (2-ethenyl-5-ethyl-1,3-dioxan-5-yl)methanol
- 1075-97-4
- DTXSID90571133
- SCHEMBL8321176
-
- Inchi： 1S/C9H16O3/c1-3-8-11-6-9(4-2,5-10)7-12-8/h3,8,10H,1,4-7H2,2H3
- InChI Key： PIZPBHHTPIXFLW-UHFFFAOYSA-N
- SMILES： O1C(C=C)OCC(CO)(CC)C1
Computed Properties
- Exact Mass: 172.109944368g/mol
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- 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: 0.8
- Topological Polar Surface Area: 38.7?2
1,3-Dioxane-5-methanol, 2-ethenyl-5-ethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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