4,4-Dimethoxy-2-methyl-2-butanol - CAS 31525-67-4
Catalog: |
BB020961 |
Product Name: |
4,4-Dimethoxy-2-methyl-2-butanol |
CAS: |
31525-67-4 |
Synonyms: |
4,4-dimethoxy-2-methylbutan-2-ol |
IUPAC Name: | 4,4-dimethoxy-2-methylbutan-2-ol |
Description: | 4,4-Dimethoxy-2-methyl-2-butanol (CAS# 31525-67-4 ) is a useful research chemical. |
Molecular Weight: | 148.20 |
Molecular Formula: | C7H16O3 |
Canonical SMILES: | CC(C)(CC(OC)OC)O |
InChI: | InChI=1S/C7H16O3/c1-7(2,8)5-6(9-3)10-4/h6,8H,5H2,1-4H3 |
InChI Key: | RLJXZLBECCIWMU-UHFFFAOYSA-N |
Boiling Point: | 206.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 0.956 g/cm3 |
LogP: | 0.76630 |
Publication Number | Title | Priority Date |
CA-2744225-A1 | Fabric softening compositions and methods | 20081126 |
AU-2008335761-A1 | Inhibitors of janus kinases | 20071213 |
AU-2008335761-B2 | Inhibitors of janus kinases | 20071213 |
EP-2231143-A1 | Inhibitors of janus kinases | 20071213 |
EP-2231143-B1 | 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES | 20071213 |
PMID | Publication Date | Title | Journal |
17497014 | 20060101 | Structure-Activity Relationships of Synthetic Coumarins as HIV-1 Inhibitors | Bioinorganic chemistry and applications |
8632437 | 19960315 | Synthesis, chromatographic resolution, and anti-human immunodeficiency virus activity of (+/-)-calanolide A and its enantiomers | Journal of medicinal chemistry |
Complexity: | 86.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.109944368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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