Cas no 87719-37-7 (3,3-dimethoxybutan-1-ol)
3,3-dimethoxybutan-1-ol structure
Product Name:3,3-dimethoxybutan-1-ol
CAS No:87719-37-7
MF:C6H14O3
MW:134.173562526703
CID:1910255
PubChem ID:22637013
Update Time:2025-04-21
3,3-dimethoxybutan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethoxybutan-1-ol
- 1-butanol, 3,3-dimethoxy-
- LogP
- 87719-37-7
- DTXSID90627189
- SCHEMBL6261251
-
- Inchi： 1S/C6H14O3/c1-6(8-2,9-3)4-5-7/h7H,4-5H2,1-3H3
- InChI Key： OENXSJBPQAIXAD-UHFFFAOYSA-N
- SMILES： O(C)C(C)(CCO)OC
Computed Properties
- Exact Mass: 134.094294304Da
- Monoisotopic Mass: 134.094294304Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 68.7
- 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
- Topological Polar Surface Area: 38.7?2
3,3-dimethoxybutan-1-ol Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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