Cas no 922165-68-2 (1,3-Butanediol, 1,1-dimethoxy-3-methyl-)
922165-68-2 structure
Product Name:1,3-Butanediol, 1,1-dimethoxy-3-methyl-
CAS No:922165-68-2
MF:C7H16O4
MW:164.199542999268
CID:741883
PubChem ID:71421712
Update Time:2025-04-19
1,3-Butanediol, 1,1-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanediol, 1,1-dimethoxy-3-methyl-
- 1,1-dimethoxy-3-methylbutane-1,3-diol
- 922165-68-2
- DTXSID00840761
-
- Inchi： 1S/C7H16O4/c1-6(2,8)5-7(9,10-3)11-4/h8-9H,5H2,1-4H3
- InChI Key： PXWJHVMYHHDZBR-UHFFFAOYSA-N
- SMILES： OC(C)(C)CC(O)(OC)OC
Computed Properties
- Exact Mass: 164.10485899g/mol
- Monoisotopic Mass: 164.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 118
- 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: -0.4
- Topological Polar Surface Area: 58.9?2
1,3-Butanediol, 1,1-dimethoxy-3-methyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
922165-68-2 (1,3-Butanediol, 1,1-dimethoxy-3-methyl-) Related Products
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